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5-(p-Aminophenyl)-10,20-diphenylporphyrin
SpectraBase Compound ID 53UyrpdZ0IS
InChI InChI=1S/C38H27N5/c39-27-13-11-26(12-14-27)38-34-21-19-32(42-34)36(24-7-3-1-4-8-24)30-17-15-28(40-30)23-29-16-18-31(41-29)37(25-9-5-2-6-10-25)33-20-22-35(38)43-33/h1-23,40,43H,39H2/b28-23-,29-23-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-
InChIKey SYGJSSJBZDMXMI-DVNJKSERSA-N
Mol Weight 553.7 g/mol
Molecular Formula C38H27N5
Exact Mass 553.226646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GAjxFIfXAB
Name 5-(p-Aminophenyl)-10,20-diphenylporphyrin
Alternate Name(s) 4-[7,17-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-undecaen-2-yl]aniline 4-[7,17-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-undecaen-2-yl]phenylamine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H27N5
InChI InChI=1S/C38H27N5/c39-27-13-11-26(12-14-27)38-34-21-19-32(42-34)36(24-7-3-1-4-8-24)30-17-15-28(40-30)23-29-16-18-31(41-29)37(25-9-5-2-6-10-25)33-20-22-35(38)43-33/h1-23,40,43H,39H2/b28-23-,29-23-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-
InChIKey SYGJSSJBZDMXMI-DVNJKSERSA-N
Molecular Weight 553.669 g/mol
SMILES [nH]1c2c(c3nc(c(-c4ccc(cc4)N)c4ccc(c(c5nc(cc1cc2)cc5)-c1ccccc1)[nH]4)cc3)-c1ccccc1
SPLASH splash10-0udi-0000090000-4a265fd383480c006879
Source of Spectrum K-2001-1034-4
Wiley ID 1578784