5-(p-Ethynylphenyl)-10,20-diphenylporphyrin

SpectraBase Compound ID	Czwt41htpqy
InChI	InChI=1S/C40H26N4/c1-2-26-13-15-29(16-14-26)40-36-23-21-34(43-36)38(27-9-5-3-6-10-27)32-19-17-30(41-32)25-31-18-20-33(42-31)39(28-11-7-4-8-12-28)35-22-24-37(40)44-35/h1,3-25,41,44H/b30-25-,31-25-,38-32-,38-34-,39-33-,39-35-,40-36-,40-37-
InChIKey	JEEJNFUIYHKFEK-MEWLEOLYSA-N Google Search
Mol Weight	562.7 g/mol
Molecular Formula	C40H26N4
Exact Mass	562.215747 g/mol

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SpectraBase Spectrum ID	IVqh5Edcws8
Name	5-(p-Ethynylphenyl)-10,20-diphenylporphyrin
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C40H26N4
InChI	InChI=1S/C40H26N4/c1-2-26-13-15-29(16-14-26)40-36-23-21-34(43-36)38(27-9-5-3-6-10-27)32-19-17-30(41-32)25-31-18-20-33(42-31)39(28-11-7-4-8-12-28)35-22-24-37(40)44-35/h1,3-25,41,44H/b30-25-,31-25-,38-32-,38-34-,39-33-,39-35-,40-36-,40-37-
InChIKey	JEEJNFUIYHKFEK-MEWLEOLYSA-N
Molecular Weight	562.676 g/mol
SMILES	[nH]1c2c(c3nc(c(c4ccc(c(c5nc(cc1cc2)cc5)-c1ccccc1)[nH]4)-c1ccc(cc1)C#C)cc3)-c1ccccc1
SPLASH	splash10-03di-0000090000-bffd16027ef1af54cd85
Source of Spectrum	K-2001-1035-10
Synonyms	7-(4-ethynylphenyl)-2,12-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	1578778