nickel(2+); 5,10,15-triphenyl-20-quinolin-8-yl-porphyrin-22,24-diide

Systemtic Name: nickel(2+); 5,10,15-triphenyl-20-quinolin-8-yl-porphyrin-22,24-diide Openeye Name: nickelous 5,10,15-triphenyl-20-(8-quinolyl)porphyrin-22,24-diide CAS Name: nickel(2+); 5,10,15-triphenyl-20-(8-quinolinyl)porphyrin-22,24-diide IUPAC Name: nickel(2+); 5,10,15-triphenyl-20-quinolin-8-ylporphyrin-22,24-diide Traditional Name: nickelous 5,10,15-triphenyl-20-(8-quinolyl)porphine-22,24-diide Formula: C47H29N5Ni MolecularWeight: 722.46006

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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=CC9=C8N=CC=C9)C=C4)C1=CC=CC=C1)[N-]3.[Ni+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=CC9=C8N=CC=C9)C=C4)C1=CC=CC=C1)[N-]3.[Ni+2]

InChI

InChI=1S/C47H29N5.Ni/c1-4-12-30(13-5-1)43-35-21-23-37(49-35)44(31-14-6-2-7-15-31)39-25-27-41(51-39)46(34-20-10-18-33-19-11-29-48-47(33)34)42-28-26-40(52-42)45(32-16-8-3-9-17-32)38-24-22-36(43)50-38;/h1-29H;/q-2;+2