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100572-96-1

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

Title Journal
Bridging the gap between porphyrins and porphycenes: substituent-position-sensitive tautomerism and photophysics in meso-diphenyloctaethylporphyrins. Chemistry (Weinheim an der Bergstrasse, Germany) 20110829
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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