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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
Mol Weight 744.9 g/mol
Molecular Formula C52H32N4O2
Exact Mass 744.252526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E12s8QwhKbu
Name 3-(10,15,20-Triphenyporphyrin-5-yl)phenanthrene-9,10-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2cc5-c6c(cccc6)C(C(c5cc2)=O)=O)cc4)-c2ccccc2)cc3)-c2ccccc2)cc1)-c1ccccc1
SPLASH splash10-0007-0000000900-361866ea7e8734722942
Source of Spectrum K-2002-461-5
Wiley ID 1581406