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886-66-8 | 1,4-Diphenylbuta-1,3-diyne
CAS No: 886-66-8 Catalog No: AG003DP3 MDL No:MFCD00004787
Product Description
Catalog Number:
AG003DP3
Chemical Name:
1,4-Diphenylbuta-1,3-diyne
CAS Number:
886-66-8
Molecular Formula:
C16H10
Molecular Weight:
202.2506
MDL Number:
MFCD00004787
IUPAC Name:
4-phenylbuta-1,3-diynylbenzene
InChI:
InChI=1S/C16H10/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H
InChI Key:
HMQFJYLWNWIYKQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C#CC#Cc1ccccc1
EC Number:
212-953-1
UNII:
84WV7G15RN
NSC Number:
529170
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.256g/mol
Monoisotopic Mass:
202.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| Calciate-mediated intermolecular hydroamination of diphenylbutadiyne with secondary anilines. | Chemical communications (Cambridge, England) 20120718 |
| 1,4-Bis[4-(tert-butyl-sulfan-yl)phen-yl]buta-1,3-diyne. | Acta crystallographica. Section E, Structure reports online 20120501 |
| The excited states and vibronic spectroscopy of diphenyldiacetylene and diphenylvinylacetylene. | Physical chemistry chemical physics : PCCP 20120107 |
| Unique interplay between electronic states and dihedral angle for the molecular rotor diphenyldiacetylene. | Physical chemistry chemical physics : PCCP 20110928 |
| Palladacycles of novel bisoxazoline chelating ligands based on the dimeric cyclobutadiene linked cobalt sandwich compound [(η5-Cp)Co(η4-C4Ph3)]2. | Dalton transactions (Cambridge, England : 2003) 20110514 |
| Electrorheology of nanofiber suspensions. | Nanoscale research letters 20110101 |
| Probing the rate of hole transfer in oxidized porphyrin dyads using thallium hyperfine clocks. | Journal of the American Chemical Society 20100901 |
| Sonogashira coupling on an extended gold surface in vacuo: reaction of phenylacetylene with iodobenzene on Au(111). | Journal of the American Chemical Society 20100616 |
| Linker dependence of energy and hole transfer in neutral and oxidized multiporphyrin arrays. | The journal of physical chemistry. B 20091231 |
| A reliable quantum-chemical protocol for the characterization of organic mixed-valence compounds. | Journal of the American Chemical Society 20091111 |
| Borylene-based direct functionalization of organic substrates: synthesis, characterization, and photophysical properties of novel pi-conjugated borirenes. | Journal of the American Chemical Society 20090701 |
| [Synthesis of 1, 2, 5-triphenyl-pyrrole and effect of its aggregation degree on photoluminescence intensity]. | Guang pu xue yu guang pu fen xi = Guang pu 20090601 |
| Bis(heterocumulenes) derived from the 1,4-diphenyl-1,3-butadiyne framework. Synthesis of three new classes of axially chiral biheteroaryls. | The Journal of organic chemistry 20080104 |
| (2,5-Diphenyl-pent-4-yn-1-en-3-yl-idene)triphenyl-phospho-rane. | Acta crystallographica. Section E, Structure reports online 20080101 |
| Mixed aromatic-alkyne system on a Pd surface: a first-principles study. | The journal of physical chemistry. B 20060302 |
| Optical excitations in carbon architectures based on dodecadehydrotribenzo[18]annulene. | The journal of physical chemistry. A 20060202 |
| Poly(diacetylene)-nanofibers can be fabricated through photo-irradiation using natural polysaccharide schizophyllan as a one-dimensional mold. | Organic & biomolecular chemistry 20051221 |
| Monolayers of diphenyldiacetylene derivatives: Tuning molecular tilt angles and photopolymerization efficiency via electrodeposited Ag interlayer on Au. | The journal of physical chemistry. B 20051020 |
| Photoreactions of 1-acetylisatin with alkynes: regioselectivity in oxetene formation and easy access to 3-alkylideneoxindoles and dispiro[oxindole[3,2']furan[3',3' ']oxindole]s. | The Journal of organic chemistry 20050513 |
| Hydrogen-mediated C-C bond formation: catalytic regio- and stereoselective reductive condensation of alpha-keto aldehydes and 1,3-enynes. | Journal of the American Chemical Society 20040414 |
| Symmetry switching of the fluorescent excited state in alpha,omega-diphenylpolyynes. | Journal of the American Chemical Society 20031119 |
| Synthesis and characterization of bis(S-acetylthio)-derivatized europium triple-decker monomers and oligomers. | Inorganic chemistry 20031117 |
| Formation of cyclopentadienyl and ruthenacyclopentadienyl derivatives through ynenyl-diyne and ynenyl-alkyne couplings onto a triruthenium cluster core. | Chemistry (Weinheim an der Bergstrasse, Germany) 20010601 |
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