5-Heptyl-10,15,20-tris(3-methoxyphenyl)porphyrin

SpectraBase Compound ID	CdFGdEqg1XM
InChI	InChI=1S/C48H46N4O3/c1-5-6-7-8-9-19-37-38-20-22-40(49-38)46(31-13-10-16-34(28-31)53-2)42-24-26-44(51-42)48(33-15-12-18-36(30-33)55-4)45-27-25-43(52-45)47(41-23-21-39(37)50-41)32-14-11-17-35(29-32)54-3/h10-18,20-30,49,52H,5-9,19H2,1-4H3/b38-37-,39-37-,46-40-,46-42-,47-41-,47-43-,48-44-,48-45-
InChIKey	SCECEVNQXDMZHZ-WOXFXTDMSA-N Google Search
Mol Weight	726.9 g/mol
Molecular Formula	C48H46N4O3
Exact Mass	726.356991 g/mol

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SpectraBase Spectrum ID	5NTEwxpAn0r
Name	5-Heptyl-10,15,20-tris(3-methoxyphenyl)porphyrin
Alternate Name(s)	2-Heptyl-7,12,17-tris(3-methoxyphenyl)-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
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C48H46N4O3
InChI	InChI=1S/C48H46N4O3/c1-5-6-7-8-9-19-37-38-20-22-40(49-38)46(31-13-10-16-34(28-31)53-2)42-24-26-44(51-42)48(33-15-12-18-36(30-33)55-4)45-27-25-43(52-45)47(41-23-21-39(37)50-41)32-14-11-17-35(29-32)54-3/h10-18,20-30,49,52H,5-9,19H2,1-4H3/b38-37-,39-37-,46-40-,46-42-,47-41-,47-43-,48-44-,48-45-
InChIKey	SCECEVNQXDMZHZ-WOXFXTDMSA-N
Molecular Weight	726.921 g/mol
SMILES	[nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2cc(OC)ccc2)cc4)-c2cc(OC)ccc2)cc3)CCCCCCC)cc1)-c1cc(OC)ccc1
SPLASH	splash10-004i-0000001900-bdd0f94cabe1c0d82c79
Source of Spectrum	KC-91-5553-56
Wiley ID	1629469