5-[ 2',3'-Dimethoxy-4'-methylphenyl]-10,15,20-triphenylporphyrin

SpectraBase Compound ID	BX3zSumaRzT
InChI	InChI=1S/C47H36N4O2/c1-29-19-20-33(47(53-3)46(29)52-2)45-40-27-25-38(50-40)43(31-15-9-5-10-16-31)36-23-21-34(48-36)42(30-13-7-4-8-14-30)35-22-24-37(49-35)44(32-17-11-6-12-18-32)39-26-28-41(45)51-39/h4-28,48,51H,1-3H3/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-
InChIKey	XFJKZOYCGRFJMP-HIXPDHBDSA-N Google Search
Mol Weight	688.8 g/mol
Molecular Formula	C47H36N4O2
Exact Mass	688.283826 g/mol

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SpectraBase Spectrum ID	KhlMpsS4mGM
Name	5-[ 2',3'-Dimethoxy-4'-methylphenyl]-10,15,20-triphenylporphyrin
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	688.283826413 u
Formula	C47H36N4O2
InChI	InChI=1S/C47H36N4O2/c1-29-19-20-33(47(53-3)46(29)52-2)45-40-27-25-38(50-40)43(31-15-9-5-10-16-31)36-23-21-34(48-36)42(30-13-7-4-8-14-30)35-22-24-37(49-35)44(32-17-11-6-12-18-32)39-26-28-41(45)51-39/h4-28,48,51H,1-3H3/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-
InChIKey	XFJKZOYCGRFJMP-HIXPDHBDSA-N
SMILES	C1(=C2N=C(C(=C3NC(=C(C=4C=CC=CC4)C4=NC(=C(C=5NC1=CC5)C1=CC=CC=C1)C=C4)C=C3)C1=CC=CC=C1)C=C2)C=1C(=C(C(C)=CC1)OC)OC