2,7,12,18-Tetramethyl-3,8-diethyl-13,17-bis(3-piperazino-propyl)porphydrin

SpectraBase Compound ID	Eoz8gCFQUVv
InChI	InChI=1S/C42H58N8/c1-7-31-27(3)35-23-36-29(5)33(11-9-17-49-19-13-43-14-20-49)41(47-36)26-42-34(12-10-18-50-21-15-44-16-22-50)30(6)38(48-42)25-40-32(8-2)28(4)37(46-40)24-39(31)45-35/h23-26,43-45,48H,7-22H2,1-6H3/b35-23-,36-23-,37-24-,38-25-,39-24-,40-25-,41-26-,42-26-
InChIKey	FAOMOJFHXVJVIF-XGAKKYBISA-N Google Search
Mol Weight	675.0 g/mol
Molecular Formula	C42H58N8
Exact Mass	674.478444 g/mol

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SpectraBase Spectrum ID	2bvQkZaol8J
Name	2,7,12,18-Tetramethyl-3,8-diethyl-13,17-bis(3-piperazino-propyl)porphydrin
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	674.478443900 u
Formula	C42H58N8
InChI	InChI=1S/C42H58N8/c1-7-31-27(3)35-23-36-29(5)33(11-9-17-49-19-13-43-14-20-49)41(47-36)26-42-34(12-10-18-50-21-15-44-16-22-50)30(6)38(48-42)25-40-32(8-2)28(4)37(46-40)24-39(31)45-35/h23-26,43-45,48H,7-22H2,1-6H3/b35-23-,36-23-,37-24-,38-25-,39-24-,40-25-,41-26-,42-26-
InChIKey	FAOMOJFHXVJVIF-XGAKKYBISA-N
Molecular Weight	674.982 g/mol
SMILES	C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5CC)C)C(=C4CC)C)C(=C3CCCN2CCNCC2)C)C(=C1C)CCCN1CCNCC1