3-(10,15,20-Triphenyporphyrin-5-yl)phenanthrene-9,10-quinone

SpectraBase Compound ID	AQdyaPVv8Uh
InChI	InChI=1S/C52H32N4O2/c57-51-36-19-11-10-18-35(36)38-30-34(20-21-37(38)52(51)58)50-45-28-26-43(55-45)48(32-14-6-2-7-15-32)41-24-22-39(53-41)47(31-12-4-1-5-13-31)40-23-25-42(54-40)49(33-16-8-3-9-17-33)44-27-29-46(50)56-44/h1-30,53,56H/b47-39-,47-40-,48-41-,48-43-,49-42-,49-44-,50-45-,50-46-
InChIKey	KJPCETIWFKCEHN-VZQFQVGISA-N Google Search
Mol Weight	744.9 g/mol
Molecular Formula	C52H32N4O2
Exact Mass	744.252526 g/mol

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SpectraBase Spectrum ID	JN3YNjjXqSz
Name	3-(10,15,20-Triphenyporphyrin-5-yl)phenanthrene-9,10-quinone
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	744.252526284 u
Formula	C52H32N4O2
InChI	InChI=1S/C52H32N4O2/c57-51-36-19-11-10-18-35(36)38-30-34(20-21-37(38)52(51)58)50-45-28-26-43(55-45)48(32-14-6-2-7-15-32)41-24-22-39(53-41)47(31-12-4-1-5-13-31)40-23-25-42(54-40)49(33-16-8-3-9-17-33)44-27-29-46(50)56-44/h1-30,53,56H/b47-39-,47-40-,48-41-,48-43-,49-42-,49-44-,50-45-,50-46-
InChIKey	KJPCETIWFKCEHN-VZQFQVGISA-N
Molecular Weight	744.854 g/mol
SMILES	C=12N=C(C(=C3NC(=C(C=4C=CC=CC4)C4=NC(=C(C=5NC(C1C=1C=CC=CC1)=CC5)C1=CC=CC=C1)C=C4)C=C3)C1=CC=3C4=C(C=CC=C4)C(C(C3C=C1)=O)=O)C=C2