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100572-96-1 | 21,22,23,24-Tetraazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaene
CAS No: 100572-96-1 Catalog No: AG0002CZ MDL No:
Product Description
Catalog Number:
AG0002CZ
Chemical Name:
21,22,23,24-Tetraazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaene
CAS Number:
100572-96-1
Molecular Formula:
C20H14N4
Molecular Weight:
310.3520
IUPAC Name:
21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1,3,5(24),6,8,10,12,14,16,18(21),19-undecaene
InChI:
InChI=1S/C20H14N4/c1-2-14-6-10-19(22-14)20-12-8-16(24-20)4-3-15-7-11-18(23-15)17-9-5-13(1)21-17/h1-12,21,23H
InChI Key:
HMSMOZAIMDNRBW-UHFFFAOYSA-N
SMILES:
C1=C2C=CC(=N2)c2ccc([nH]2)C=CC2=NC(=c3[nH]c(=C1)cc3)C=C2
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.36g/mol
Monoisotopic Mass:
310.122g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
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|---|---|
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| A simple one-dimensional method of chemical shift anisotropy determination under MAS conditions. | Journal of magnetic resonance (San Diego, Calif. : 1997) 20101201 |
| Cationic porphycenes as potential photosensitizers for antimicrobial photodynamic therapy. | Journal of medicinal chemistry 20101111 |
| Porphycene-mediated photooxidation of benzylamines by visible light. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20101028 |
| Novel controlling mechanism of the oxygen affinity in myoglobin with isomeric porphyrins. | Artificial organs 20090201 |
| Electron transfer reaction of porphyrin and porphycene complexes of Cu(II) and Zn(II) in acetonitrile. | Dalton transactions (Cambridge, England : 2003) 20090107 |
| Electronic and vibrational relaxation of porphycene in solution. | The journal of physical chemistry. A 20081030 |
| Effect of peripheral trifluoromethyl groups in artificial iron porphycene cofactor on ligand binding properties of myoglobin. | Journal of inorganic biochemistry 20080201 |
| Two-photon absorption in tetraphenylporphycenes: are porphycenes better candidates than porphyrins for providing optimal optical properties for two-photon photodynamic therapy? | Journal of the American Chemical Society 20070425 |
| Crystal structure and peroxidase activity of myoglobin reconstituted with iron porphycene. | Inorganic chemistry 20061225 |
| Ligand binding properties of two kinds of reconstituted myoglobins with iron porphycene having propionates: effect of beta-pyrrolic position of two propionate side chains in porphycene framework. | Journal of inorganic biochemistry 20060701 |
| Initiation of apoptosis and autophagy by photodynamic therapy. | Lasers in surgery and medicine 20060601 |
| Preparation and O2 binding study of myoglobin having a cobalt porphycene. | Inorganic chemistry 20051212 |
| Hemiporphycene from the expansion of a corrole ring. | Angewandte Chemie (International ed. in English) 20050513 |
| Control of iron(III) spin-state in the model complexes of azide hemoprotein by porphycene, corrphycene, and hemiporphycene macrocycles. | Inorganic chemistry 20050307 |
| Studies on the subcellular localization of the porphycene CPO. | Photochemistry and photobiology 20050101 |
| Structure-activity relationships of three differently substituted 2,7,12,17-tetrakis-(beta-methoxyethyl) porphycene derivatives in vitro. | Archives of dermatological research 20040501 |
| Iron hemiporphycene as a functional prosthetic group for myoglobin. | Inorganic chemistry 20030310 |
| Metal complexes of porphycene, corrphycene, and hemiporphycene: stability and coordination chemistry. | Chemistry (Weinheim an der Bergstrasse, Germany) 20020802 |
| Chloro(3,6,13,16-tetraethyl-2,7,12,17-tetramethylporphycenato-kappa4N)iron(III) chloroform solvate. | Acta crystallographica. Section C, Crystal structure communications 20010901 |
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