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5,10-bis(4-nitrophenyl)-15,2-diphenylprophyrin
SpectraBase Compound ID CRyTKjM1xSa
InChI InChI=1S/C44H28N6O4/c51-49(52)32-16-11-29(12-17-32)43-37-22-21-36(46-37)42(28-9-5-2-6-10-28)35-20-15-31(45-35)25-40-34(27-7-3-1-4-8-27)26-41(48-40)44(39-24-23-38(43)47-39)30-13-18-33(19-14-30)50(53)54/h1-26,46,48H/b31-25-,40-25-,42-35-,42-36-,43-37-,43-38-,44-39-,44-41-
InChIKey VHEFPRXCNKPKQW-HFNFFPHQSA-N
Mol Weight 704.7 g/mol
Molecular Formula C44H28N6O4
Exact Mass 704.217203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnoeFzklfD5
Name 5,10-bis(4-nitrophenyl)-15,2-diphenylprophyrin
CAS Registry Number 79109-32-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H28N6O4
InChI InChI=1S/C44H28N6O4/c51-49(52)32-16-11-29(12-17-32)43-37-22-21-36(46-37)42(28-9-5-2-6-10-28)35-20-15-31(45-35)25-40-34(27-7-3-1-4-8-27)26-41(48-40)44(39-24-23-38(43)47-39)30-13-18-33(19-14-30)50(53)54/h1-26,46,48H/b31-25-,40-25-,42-35-,42-36-,43-37-,43-38-,44-39-,44-41-
InChIKey VHEFPRXCNKPKQW-HFNFFPHQSA-N
Molecular Weight 704.746 g/mol
SMILES [nH]1c2c(c3nc(cc4[nH]c(c(c5nc(c(c1cc2)-c1ccc(N(=O)=O)cc1)cc5)-c1ccc(N(=O)=O)cc1)cc4-c1ccccc1)cc3)-c1ccccc1
SPLASH splash10-0zfr-0000000900-6d02b3f32001eeb3066b
Source of Spectrum J-54-2755-3
Synonyms 2,17-bis(4-nitrophenyl)-5,12-diphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Wiley ID 1415167