copper 3-nitro-N,5,10,15,20-pentakis-phenyl-2,3-dihydroporphyrin-22,24-diid-2-amine

Systemtic Name: copper 3-nitro-N,5,10,15,20-pentakis-phenyl-2,3-dihydroporphyrin-22,24-diid-2-amine Openeye Name: copper 3-nitro-N,5,10,15,20-pentakis-phenyl-2,3-dihydroporphyrin-22,24-diid-2-amine CAS Name: copper 3-nitro-N,5,10,15,20-pentakis-phenyl-2,3-dihydroporphyrin-22,24-diid-2-amine IUPAC Name: copper 3-nitro-N,5,10,15,20-pentakis-phenyl-2,3-dihydroporphyrin-22,24-diid-2-amine Traditional Name: cupric (3-nitro-5,10,15,20-tetraphenyl-2,3-dihydroporphine-22,24-diid-2-yl)-phenyl-amine Formula: C50H34CuN6O2 MolecularWeight: 814.38996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(C4NC9=CC=CC=C9)[N+](=O)[O-])C1=CC=CC=C1)[N-]3.[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(C4NC9=CC=CC=C9)[N+](=O)[O-])C1=CC=CC=C1)[N-]3.[Cu+2]

InChI

InChI=1S/C50H34N6O2.Cu/c57-56(58)50-48-46(35-22-12-4-13-23-35)42-31-29-40(54-42)44(33-18-8-2-9-19-33)38-27-26-37(52-38)43(32-16-6-1-7-17-32)39-28-30-41(53-39)45(34-20-10-3-11-21-34)47(55-48)49(50)51-36-24-14-5-15-25-36;/h1-31,49-51H;/q-2;+2