7,12,13,18-Tetraethyl-8,17-dimethylisoquino[5,6-b]porphyrin

SpectraBase Compound ID	BB0fBamqwTh
InChI	InChI=1S/C37H37N5/c1-7-23-20(5)29-15-33-25(9-3)26(10-4)34(41-33)16-30-21(6)24(8-2)32(40-30)18-36-37-27-13-14-38-19-22(27)11-12-28(37)35(42-36)17-31(23)39-29/h11-19,41-42H,7-10H2,1-6H3/b29-15-,30-16-,31-17-,32-18-,33-15-,34-16-,35-17-,36-18-
InChIKey	NWXMYZFXWJQRRK-KVLYIIKPSA-N Google Search
Mol Weight	551.7 g/mol
Molecular Formula	C37H37N5
Exact Mass	551.304896 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	1kVRvuQkOzG
Name	7,12,13,18-Tetraethyl-8,17-dimethylisoquino[5,6-B]porphyrin
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	551.304896211 u
Formula	C37H37N5
InChI	InChI=1S/C37H37N5/c1-7-23-20(5)29-15-33-25(9-3)26(10-4)34(41-33)16-30-21(6)24(8-2)32(40-30)18-36-37-27-13-14-38-19-22(27)11-12-28(37)35(42-36)17-31(23)39-29/h11-19,41-42H,7-10H2,1-6H3/b29-15-,30-16-,31-17-,32-18-,33-15-,34-16-,35-17-,36-18-
InChIKey	NWXMYZFXWJQRRK-KVLYIIKPSA-N
Molecular Weight	551.738 g/mol
SMILES	C12=C3C(C=CC4=C3C=CN=C4)=C(N2)C=C2N=C(C=C3NC(=CC4=NC(=C1)C(=C4C)CC)C(=C3CC)CC)C(=C2CC)C