1,3-Benzenediol, 4-[1-(3,7,8,12,13,17,18-heptaethyl-21H,23H-porphin-2-yl)ethyl]-

SpectraBase Compound ID	4ID6e6jKODV
InChI	InChI=1S/C42H50N4O2/c1-8-26-27(9-2)35-21-37-30(12-5)31(13-6)39(45-37)23-41-33(18-16-24-15-17-25(47)19-42(24)48)32(14-7)40(46-41)22-38-29(11-4)28(10-3)36(44-38)20-34(26)43-35/h15,17,19-23,43,46-48H,8-14,16,18H2,1-7H3/b34-20-,35-21-,36-20-,37-21-,38-22-,39-23-,40-22-,41-23-
InChIKey	RZQBDBIQRZVVKP-GPOZQWGWSA-N Google Search
Mol Weight	642.9 g/mol
Molecular Formula	C42H50N4O2
Exact Mass	642.393377 g/mol

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SpectraBase Spectrum ID	L5QKdCoCBeN
Name	1,3-Benzenediol, 4-[1-(3,7,8,12,13,17,18-heptaethyl-21H,23H-porphin-2-yl)ethyl]-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	642.393376864 u
Formula	C42H50N4O2
InChI	InChI=1S/C42H50N4O2/c1-8-26-27(9-2)35-21-37-30(12-5)31(13-6)39(45-37)23-41-33(18-16-24-15-17-25(47)19-42(24)48)32(14-7)40(46-41)22-38-29(11-4)28(10-3)36(44-38)20-34(26)43-35/h15,17,19-23,43,46-48H,8-14,16,18H2,1-7H3/b34-20-,35-21-,36-20-,37-21-,38-22-,39-23-,40-22-,41-23-
InChIKey	RZQBDBIQRZVVKP-GPOZQWGWSA-N
Molecular Weight	642.888 g/mol
SMILES	C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5CC)CCC=2C(=CC(=CC2)O)O)C(=C4CC)CC)C(=C3CC)CC)C(=C1CC)CC