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259886-51-6 | 2,20:3,19-Dimethano-2,3,4a,5a,6a,7a,8a,9a,10a,11a,12a,13a,14a,15a,16a,17a,19,20,21a,22a,23a,24a,25a,26a,27a,28a,29a,30a,31a,32a,33a,34a-dotriacontaazabispentaleno[1''''',6''''':5'''',6'''',7'''']cycloocta[1'''',2'''',3'''':3''',4''']pentaleno[1''',6''':5'',6'',7'']cycloocta[1'',2'',3'':3',4']pentaleno[1',6':5,6,7]cycloocta[1,2,3-gh:1',2',3'-g'h']cycloocta[1,2,3-cd:5,6,7-c'd']dipentalene-1,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33-hexadecone, hexadecahydro-, stereoisomer
CAS No: 259886-51-6 Catalog No: AG002RAX MDL No:MFCD03456501
Product Description
Catalog Number:
AG002RAX
Chemical Name:
2,20:3,19-Dimethano-2,3,4a,5a,6a,7a,8a,9a,10a,11a,12a,13a,14a,15a,16a,17a,19,20,21a,22a,23a,24a,25a,26a,27a,28a,29a,30a,31a,32a,33a,34a-dotriacontaazabispentaleno[1''''',6''''':5'''',6'''',7'''']cycloocta[1'''',2'''',3'''':3''',4''']pentaleno[1''',6''':5'',6'',7'']cycloocta[1'',2'',3'':3',4']pentaleno[1',6':5,6,7]cycloocta[1,2,3-gh:1',2',3'-g'h']cycloocta[1,2,3-cd:5,6,7-c'd']dipentalene-1,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33-hexadecone, hexadecahydro-, stereoisomer
CAS Number:
259886-51-6
MDL Number:
MFCD03456501
IUPAC Name:
3,5,8,10,13,15,18,20,23,25,28,30,33,35,38,40,41,43,45,47,51,53,55,57,59,61,63,65,67,69,71,73-dotriacontazapentacosacyclo[35.3.3.36,7.311,12.316,17.321,22.326,27.331,32.22,41.236,43.13,40.15,8.110,13.115,18.120,23.125,28.130,33.135,38.145,51.147,73.153,55.157,59.161,63.165,67.169,71]octacontane-44,46,48,49,50,52,54,56,58,60,62,64,66,68,70,72-hexadecone
InChI:
InChI=1S/C48H48N32O16/c81-33-49-1-50-18-20-54(34(50)82)4-58-22-24-62(38(58)86)8-66-26-28-70(42(66)90)12-74-30-32-78(46(74)94)15-77-31-29-73(45(77)93)11-69-27-25-65(41(69)89)7-61-23-21-57(37(61)85)3-53(33)19-17(49)51-2-52(18)36(84)56(20)6-60(22)40(88)64(24)10-68(26)44(92)72(28)14-76(30)48(96)80(32)16-79(31)47(95)75(29)13-71(27)43(91)67(25)9-63(23)39(87)59(21)5-55(19)35(51)83/h17-32H,1-16H2
InChI Key:
CONWISUOKHSUDR-UHFFFAOYSA-N
Properties
Complexity:
2960
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1328.393g/mol
Formal Charge:
0
Heavy Atom Count:
96
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1329.12g/mol
Monoisotopic Mass:
1328.393g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
377A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-9.1
Literature
| Title | Journal |
|---|---|
| A cucurbit[8]uril sponge. | Organic & biomolecular chemistry 20121121 |
| A new strategy for effective construction of protein stacks by using cucurbit[8]uril as a glue molecule. | Chemical communications (Cambridge, England) 20121107 |
| New supramolecular interactions for electrochemical sensors development: different cucurbit[8]uril sensing platform designs. | The Analyst 20120921 |
| Supramolecular peptide amphiphile vesicles through host-guest complexation. | Angewandte Chemie (International ed. in English) 20120917 |
| A supramolecular route towards core-shell polymeric microspheres in water via cucurbit[8]uril complexation. | Chemical communications (Cambridge, England) 20120911 |
| Reversible modulation of helicity in a binaphthyl-bipyridinium species and its cucurbit[8]uril complexes. | Chemical communications (Cambridge, England) 20120807 |
| Strongly fluorescent, switchable perylene bis(diimide) host-guest complexes with cucurbit[8]uril in water. | Angewandte Chemie (International ed. in English) 20120727 |
| Ultrahigh-water-content supramolecular hydrogels exhibiting multistimuli responsiveness. | Journal of the American Chemical Society 20120718 |
| Cucurbituril adamantanediazirine complexes and consequential carbene chemistry. | The Journal of organic chemistry 20120601 |
| Force-field and quantum-mechanical binding study of selected SAMPL3 host-guest complexes. | Journal of computer-aided molecular design 20120501 |
| Cucurbit[8]uril-stabilized charge transfer complexes with diquat driven by pH: a SERS study. | Physical chemistry chemical physics : PCCP 20120414 |
| Probing the stability of multicomponent self-assembled architectures based on cucurbit[8]uril in the gas phase. | Organic & biomolecular chemistry 20120328 |
| Cucurbit[8]uril mediated donor-acceptor ternary complexes: a model system for studying charge-transfer interactions. | The journal of physical chemistry. B 20120308 |
| Orientation of pyrylium guests in cucurbituril hosts. | The Journal of organic chemistry 20120302 |
| Cucurbit[8]uril as building block for facile fabrication of well-defined organic crystalline nano-objects with multiple morphologies and compositions. | Small (Weinheim an der Bergstrasse, Germany) 20120220 |
| One-step fabrication of supramolecular microcapsules from microfluidic droplets. | Science (New York, N.Y.) 20120210 |
| Recognition-mediated light-up of thiazole orange with cucurbit[8]uril: exchange and release by chemical stimuli. | The journal of physical chemistry. B 20120112 |
| Triply triggered doxorubicin release from supramolecular nanocontainers. | Biomacromolecules 20120109 |
| Determination of the purity of cucurbit[n]uril (n = 7, 8) host samples. | The Journal of organic chemistry 20111216 |
| Photochromism in cucurbit[8]uril cavity: inhibition of hydrolysis and modification of the rate of merocyanine-spiropyran transformations. | The journal of physical chemistry. B 20111103 |
| MM/GBSA and LIE estimates of host-guest affinities: dependence on charges and solvation model. | Journal of computer-aided molecular design 20111101 |
| Chiral ionic liquid-mediated photochirogenesis. Enantiodifferentiating photocyclodimerization of 2-anthracenecarboxylic acid. | Organic & biomolecular chemistry 20111021 |
| Interconversion between [5]pseudorotaxane and [3]pseudorotaxane by pasting/detaching two axle molecules. | The Journal of organic chemistry 20111021 |
| Cucurbit[8]uril rotaxanes. | Organic letters 20110916 |
| Dual supramolecular photochirogenesis: ultimate stereocontrol of photocyclodimerization by a chiral scaffold and confining host. | Journal of the American Chemical Society 20110907 |
| Efficient and selective photodimerization of 2-naphthalenecarbonitrile mediated by cucurbit[8]uril in an aqueous solution. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20110901 |
| Regiospecific [2 + 2] photocyclodimerization of trans-4-styrylpyridines templated by cucurbit[8]uril. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20110901 |
| Host-enhanced π-π interaction for water-soluble supramolecular polymerization. | Chemistry (Weinheim an der Bergstrasse, Germany) 20110829 |
| Formation of linear supramolecular polymers that is based on host-guest assembly in water. | Chemical communications (Cambridge, England) 20110821 |
| En route to osmium analogues of KP1019: synthesis, structure, spectroscopic properties and antiproliferative activity of trans-[Os(IV)Cl4(Hazole)2]. | Inorganic chemistry 20110815 |
| Cucurbit[8]uril induced heterodimerization of methylviologen and naphthalene functionalized proteins. | Chemical communications (Cambridge, England) 20110628 |
| Size selective supramolecular cages from aryl-bisimidazolium derivatives and cucurbit[8]uril. | Organic letters 20110617 |
| Supramolecular photocatalysis: insights into cucurbit[8]uril catalyzed photodimerization of 6-methylcoumarin. | Chemical communications (Cambridge, England) 20110614 |
| 'On-demand' control of thermoresponsive properties of poly(N-isopropylacrylamide) with cucurbit[8]uril host-guest complexes. | Chemical communications (Cambridge, England) 20110607 |
| Controlled molecular self-assembly behaviors between cucurbituril and bispyridinium derivatives. | The Journal of organic chemistry 20110603 |
| Interaction of DNA and a series of aromatic donor-viologen acceptor molecules with and without the presence of CB[8]. | Physical chemistry chemical physics : PCCP 20110528 |
| The importance of methylation in the binding of (ferrocenylmethyl)tempammonium guests by cucurbit[n]uril (n=7, 8) hosts. | Chemical communications (Cambridge, England) 20110521 |
| Controlling the extent of spin exchange coupling in 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) biradicals via molecular recognition with cucurbit[n]uril hosts. | Langmuir : the ACS journal of surfaces and colloids 20110503 |
| A heterowheel [3]pseudorotaxane by integrating β-cyclodextrin and cucurbit[8]uril inclusion complexes. | Organic letters 20110304 |
| U-shaped conformation of alkyl chains bound to a synthetic receptor cucurbit[8]uril. | Chemistry, an Asian journal 20110201 |
| Redox-induced Ru(bpy)(3)(2+)-methylviologen radical formation and its dimerization in cucurbit[8]uril. | Physical chemistry chemical physics : PCCP 20110114 |
| Supramolecular gold nanoparticle-polymer composites formed in water with cucurbit[8]uril. | Chemical communications (Cambridge, England) 20110107 |
| Benzobis(imidazolium)-cucurbit[8]uril complexes for binding and sensing aromatic compounds in aqueous solution. | Chemistry (Weinheim an der Bergstrasse, Germany) 20101210 |
| Suppression of spin-spin coupling in nitroxyl biradicals by supramolecular host-guest interactions. | Chemical communications (Cambridge, England) 20101107 |
| Inclusion of carboxyl function inside of cucurbiturils and its use in molecular switches. | Chemistry, an Asian journal 20101102 |
| Inclusion of a nitronyl nitroxyl radical and its hydrochloride in cucurbit[8]uril. | Chemistry (Weinheim an der Bergstrasse, Germany) 20101102 |
| Greatly enhanced binding of a cationic porphyrin towards bovine serum albumin by cucurbit[8]uril. | Physical chemistry chemical physics : PCCP 20101028 |
| Supramolecular cross-linked networks via host-guest complexation with cucurbit[8]uril. | Journal of the American Chemical Society 20101013 |
| Correlating solution binding and ESI-MS stabilities by incorporating solvation effects in a confined cucurbit[8]uril system. | The journal of physical chemistry. B 20100708 |
| Host-guest assembly of squaraine dye in cucurbit[8]uril: its implication in fluorescent probe for mercury ions. | Chemical communications (Cambridge, England) 20100621 |
| Unconventional U-shaped conformation of a bolaamphiphile embedded in a synthetic host. | Chemical communications (Cambridge, England) 20100621 |
| Chirality from achiral components: N,N'-bis(4-dimethylaminobenzyl)dodecane-1,12-diammonium in cucurbit[8]uril. | Chemical communications (Cambridge, England) 20100607 |
| Synthesis and DNA photocleavage study of Ru(bpy)(3)(2+)-(CH(2))(n)-MV(2+) complexes. | Dalton transactions (Cambridge, England : 2003) 20100514 |
| Toxicity of cucurbit[7]uril and cucurbit[8]uril: an exploratory in vitro and in vivo study. | Organic & biomolecular chemistry 20100507 |
| Site-selective immobilization of colloids on Au substrates via a noncovalent supramolecular 'handcuff'. | Langmuir : the ACS journal of surfaces and colloids 20100420 |
| [Cucurbit[8]urils-induced room temperature phosphorescence of phenanthrene and fluorene]. | Guang pu xue yu guang pu fen xi = Guang pu 20100401 |
| A facile method for preparing one-molecule-thick free-standing organic nanosheets with a regular square shape. | Chemical communications (Cambridge, England) 20100207 |
| Study on the inclusion interaction of cucurbit[n]urils with sanguinarine by spectrofluorimetry and its analytical application. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100201 |
| Unusual partner radical trimer formation in a host complex of cucurbit[8]uril, ruthenium(II) tris-bipyridine linked phenol and methyl viologen. | Chemical communications (Cambridge, England) 20100121 |
| Supramolecular photocatalysis by confinement--photodimerization of coumarins within cucurbit[8]urils. | Chemical communications (Cambridge, England) 20100114 |
| Protein Dimerization Induced by Supramolecular Interactions with Cucurbit[8]uril. | Angewandte Chemie (International ed. in English) 20100101 |
| Redox-induced partner radical formation and its dynamic balance with radical dimer in cucurbit[8]uril. | Physical chemistry chemical physics : PCCP 20091221 |
| Self aggregation of supramolecules of nitroxides@cucurbit[8]uril revealed by EPR spectra. | Langmuir : the ACS journal of surfaces and colloids 20091215 |
| Preparation and characterisation of a new inclusion compound of cucurbit[8]uril with a nitroxide radical. | Chemistry (Weinheim an der Bergstrasse, Germany) 20090810 |
| Inclusion complexes of coumarin in cucurbiturils. | Organic & biomolecular chemistry 20090607 |
| Multivalent recognition of peptides by modular self-assembled receptors. | Journal of the American Chemical Society 20090218 |
| Discrete, multi-component complexes with cucurbit[8]uril in the gas-phase. | Chemical communications (Cambridge, England) 20090214 |
| A new three-way supramolecular switch based on redox-controlled interconversion of hetero- and homo-guest-pair inclusion inside a host molecule. | Chemical communications (Cambridge, England) 20090128 |
| Control of the supramolecular excimer formation of thioflavin T within a cucurbit[8]uril host: a fluorescence on/off mechanism. | Chemistry (Weinheim an der Bergstrasse, Germany) 20090101 |
| Synthetic molecular machine based on reversible end-to-interior and end-to-end loop formation triggered by electrochemical stimuli. | Chemistry, an Asian journal 20080901 |
| Manipulating photochemical reactivity of coumarins within cucurbituril nanocavities. | Organic letters 20080807 |
| Syntheses, structures, and electrochemical properties of inclusion compounds of cucurbit[8]uril with cobalt(III) and nickel(II) complexes. | Inorganic chemistry 20080804 |
| Highly stereoselective photocyclodimerization of alpha-cyclodextrin-appended anthracene mediated by gamma-cyclodextrin and cucurbit[8]uril: a dramatic steric effect operating outside the binding site. | Journal of the American Chemical Society 20080709 |
| A host-induced intramolecular charge-transfer complex and light-driven radical cation formation of a molecular triad with cucurbit[8]uril. | The Journal of organic chemistry 20080516 |
| Degradation of bidentate-coordinated platinum(II)-based DNA intercalators by reduced L-glutathione. | Journal of medicinal chemistry 20080508 |
| Inclusion complexes of the antitumour metallocenes Cp(2)MCl(2) (M = Mo, Ti) with cucurbit[n]urils. | Dalton transactions (Cambridge, England : 2003) 20080507 |
| Highly efficient cucurbit[8]uril-templated intramolecular photocycloaddition of 2-naphthalene-labeled poly(ethylene glycol) in aqueous solution. | The Journal of organic chemistry 20080118 |
| Specific binding effects for cucurbit[8]uril in 2,4,6-triphenylpyrylium-cucurbit[8]uril host-guest complexes: observation of room-temperature phosphorescence and their application in electroluminescence. | Chemistry (Weinheim an der Bergstrasse, Germany) 20080101 |
| Supramolecular block copolymers with cucurbit[8]uril in water. | Angewandte Chemie (International ed. in English) 20080101 |
| Host-guest chemistry and light driven molecular lock of Ru(bpy)(3)-viologen with cucurbit[7-8]urils. | The journal of physical chemistry. B 20071129 |
| Encapsulation of platinum(II)-based DNA intercalators within cucurbit[6,7,8]urils. | Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20070901 |
| Preorientation of olefins toward a single photodimer: cucurbituril-mediated photodimerization of protonated azastilbenes in water. | Langmuir : the ACS journal of surfaces and colloids 20070703 |
| Crystal engineering principles applied to solution photochemistry: controlling the photodimerization of stilbazolium salts within gamma-cyclodextrin and cucurbit[8]uril in water. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20070701 |
| Supramolecular assemblies built with host-stabilized charge-transfer interactions. | Chemical communications (Cambridge, England) 20070407 |
| A new cucurbit[8]uril-based fluorescent receptor for indole derivatives. | Chemical communications (Cambridge, England) 20070214 |
| Functionalized cucurbiturils and their applications. | Chemical Society reviews 20070201 |
| Cucurbit[8]uril/cucurbit[7]uril controlled off/on fluorescence of the acridizinium and 9-aminoacridizinium cations in aqueous solution. | Chemistry (Weinheim an der Bergstrasse, Germany) 20070101 |
| Inclusion complexation of diquat and paraquat by the hosts cucurbit[7]uril and cucurbit[8]uril. | Chemistry (Weinheim an der Bergstrasse, Germany) 20070101 |
| The photoinduced long-lived charge-separated state of Ru(bpy)3-methylviologen with cucurbit[8]uril in aqueous solution. | Chemical communications (Cambridge, England) 20061028 |
| Sequence-specific recognition and cooperative dimerization of N-terminal aromatic peptides in aqueous solution by a synthetic host. | Journal of the American Chemical Society 20060927 |
| Regioselective photodimerization of cinnamic acids in water: Templation with cucurbiturils. | Langmuir : the ACS journal of surfaces and colloids 20060829 |
| Jørgensen complex within a molecular container: selective encapsulation of trans-[Co(en)2Cl2]+ into cucurbit[8]uril and influence of inclusion on guest's properties. | Inorganic chemistry 20060821 |
| Circular dichroism of intra- and intermolecular charge-transfer complexes. Enhancement of anisotropy factors by dimer formation and by confinement. | The Journal of organic chemistry 20060414 |
| Cucurbit[n]uril binding of platinum anticancer complexes. | Dalton transactions (Cambridge, England : 2003) 20060121 |
| Supramolecular assembly of 2,7-dimethyldiazapyrenium and cucurbit[8]uril: a new fluorescent host for detection of catechol and dopamine. | Chemistry (Weinheim an der Bergstrasse, Germany) 20051118 |
| Charge-mediated recognition of N-terminal tryptophan in aqueous solution by a synthetic host. | Journal of the American Chemical Society 20051019 |
| Template directed photodimerization of trans-1,2-bis(n-pyridyl)ethylenes and stilbazoles in water. | Chemical communications (Cambridge, England) 20050928 |
| [Interaction of cucurbit[ n ]urils and quinoline or its derivatives]. | Guang pu xue yu guang pu fen xi = Guang pu 20050801 |
| Templating photodimerization of trans-cinnamic acids with cucurbit[8]uril and gamma-cyclodextrin. | Organic letters 20050217 |
| Stable pi-dimer of a tetrathiafulvalene cation radical encapsulated in the cavity of cucurbit[8]uril. | Chemical communications (Cambridge, England) 20040407 |
| Designed self-assembly of molecular necklaces using host-stabilized charge-transfer interactions. | Journal of the American Chemical Society 20040225 |
| Unprecedented host-induced intramolecular charge-transfer complex formation. | Chemical communications (Cambridge, England) 20021121 |
| Control of the stoichiometry in host-guest complexation by redox chemistry of guests: inclusion of methylviologen in cucurbit[8]uril. | Chemical communications (Cambridge, England) 20020907 |
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