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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QvF2u4rJOM
Name meso-2-Nitro-5,10,15,20-tetra(6-quinolinyl)porphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H33N9O2
InChI InChI=1S/C56H33N9O2/c66-65(67)51-31-50-54(38-11-15-42-34(29-38)7-3-25-59-42)48-20-19-46(62-48)52(36-9-13-40-32(27-36)5-1-23-57-40)44-17-18-45(61-44)53(37-10-14-41-33(28-37)6-2-24-58-41)47-21-22-49(63-47)55(56(51)64-50)39-12-16-43-35(30-39)8-4-26-60-43/h1-31,61,64H/b52-44-,52-46-,53-45-,53-47-,54-48-,54-50-,55-49-,56-55-
InChIKey LTRXFFQYULONBM-NEQRKCBESA-N
Molecular Weight 863.941 g/mol
SMILES [nH]1c2c(c3nc(c(c4cc(c(c(c5nc(c(c1cc2)-c1cc2cccnc2cc1)cc5)-c1cc2cccnc2cc1)[nH]4)N(=O)=O)-c1cc2cccnc2cc1)cc3)-c1cc2cccnc2cc1
SPLASH splash10-02t9-0000000090-23d9fec9f59a2850aac6
Source of Spectrum O1-34-883-2
Synonyms 4-Nitro-2,7,12,17-tetrakis(quinolin-6-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Wiley ID 819473