Copper, [5,10,15,20-tetraphenyl-21H,23H-porphin-2-olato(2-)-N21,N22,N23,N24]-, (sp-4-2)-

SpectraBase Compound ID	5fvH6GFDrZO
InChI	InChI=1S/C44H28N4O.Cu/c49-39-27-38-42(30-17-9-3-10-18-30)36-24-23-34(46-36)40(28-13-5-1-6-14-28)32-21-22-33(45-32)41(29-15-7-2-8-16-29)35-25-26-37(47-35)43(44(39)48-38)31-19-11-4-12-20-31;/h1-27H,(H-2,45,46,47,48,49);/q-2;+2/b40-32-,40-34-,41-33-,41-35-,42-36-,42-38-,43-37-,44-43-;
InChIKey	AGPQAUIOPMZTNG-SHKHMHAWSA-N Google Search
Mol Weight	692.3 g/mol
Molecular Formula	C44H28CuN4O
Exact Mass	691.155909 g/mol

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SpectraBase Spectrum ID	7WTzl0bMDgJ
Name	Copper, [5,10,15,20-tetraphenyl-21H,23H-porphin-2-olato(2-)-N21,N22,N23,N24]-, (sp-4-2)-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	691.155908537 u
Formula	C44H28CuN4O
InChI	InChI=1S/C44H28N4O.Cu/c49-39-27-38-42(30-17-9-3-10-18-30)36-24-23-34(46-36)40(28-13-5-1-6-14-28)32-21-22-33(45-32)41(29-15-7-2-8-16-29)35-25-26-37(47-35)43(44(39)48-38)31-19-11-4-12-20-31;/h1-27H,(H-2,45,46,47,48,49);/q-2;+2/b40-32-,40-34-,41-33-,41-35-,42-36-,42-38-,43-37-,44-43-;
InChIKey	AGPQAUIOPMZTNG-SHKHMHAWSA-N
Molecular Weight	692.281 g/mol
SMILES	C=12N3[Cu]N4C(=C(C5=NC(=C2C=2C=CC=CC2)C=C5)C2=CC=CC=C2)C=CC4=C(C2=NC(=C(C3=CC1O)C1=CC=CC=C1)C=C2)C1=CC=CC=C1