Meso-2-nitro-5,10,15,20-tetra(4-quinolinyl)porphyrin

SpectraBase Compound ID	6L1VCsUZBz
InChI	InChI=1S/C56H33N9O2/c66-65(67)51-31-50-54(38-25-29-59-42-15-7-3-11-34(38)42)48-20-19-46(62-48)52(36-23-27-57-40-13-5-1-9-32(36)40)44-17-18-45(61-44)53(37-24-28-58-41-14-6-2-10-33(37)41)47-21-22-49(63-47)55(56(51)64-50)39-26-30-60-43-16-8-4-12-35(39)43/h1-31,61,64H/b52-44-,52-46-,53-45-,53-47-,54-48-,54-50-,55-49-,56-55-
InChIKey	QQRQDQFZBNORPT-NEQRKCBESA-N Google Search
Mol Weight	863.9 g/mol
Molecular Formula	C56H33N9O2
Exact Mass	863.275721 g/mol

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SpectraBase Spectrum ID	FaHaghqrKOV
Name	Meso-2-nitro-5,10,15,20-tetra(4-quinolinyl)porphyrin
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	863.275721337 u
Formula	C56H33N9O2
InChI	InChI=1S/C56H33N9O2/c66-65(67)51-31-50-54(38-25-29-59-42-15-7-3-11-34(38)42)48-20-19-46(62-48)52(36-23-27-57-40-13-5-1-9-32(36)40)44-17-18-45(61-44)53(37-24-28-58-41-14-6-2-10-33(37)41)47-21-22-49(63-47)55(56(51)64-50)39-26-30-60-43-16-8-4-12-35(39)43/h1-31,61,64H/b52-44-,52-46-,53-45-,53-47-,54-48-,54-50-,55-49-,56-55-
InChIKey	QQRQDQFZBNORPT-NEQRKCBESA-N
Molecular Weight	863.941 g/mol
SMILES	C1(=C2C(=C3N=C(C(=C4NC(=C(C5=NC(=C(C(=C1)N2)C1=C2C(C=CC=C2)=NC=C1)C=C5)C=1C=2C(=CC=CC2)N=CC1)C=C4)C=1C=2C(=CC=CC2)N=CC1)C=C3)C=1C=2C(=CC=CC2)N=CC1)N(=O)=O