platinum(2+); 4-(10,15,20-triphenylporphyrin-21,22-diid-5-yl)benzenecarbonitrile

Systemtic Name: platinum(2+); 4-(10,15,20-triphenylporphyrin-21,22-diid-5-yl)benzenecarbonitrile Openeye Name: platinum(2+); 4-(10,15,20-triphenylporphyrin-21,22-diid-5-yl)benzonitrile CAS Name: platinum(2+); 4-(10,15,20-triphenyl-5-porphyrin-21,22-diidyl)benzonitrile IUPAC Name: platinum(2+); 4-(10,15,20-triphenylporphyrin-21,22-diid-5-yl)benzonitrile Traditional Name: platinum(2+); 4-(10,15,20-triphenylporphine-21,22-diid-5-yl)benzonitrile Formula: C45H27N5Pt MolecularWeight: 832.80738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C#N)[N-]3.[Pt+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C#N)[N-]3.[Pt+2]

InChI

InChI=1S/C45H27N5.Pt/c46-28-29-16-18-33(19-17-29)45-40-26-24-38(49-40)43(31-12-6-2-7-13-31)36-22-20-34(47-36)42(30-10-4-1-5-11-30)35-21-23-37(48-35)44(32-14-8-3-9-15-32)39-25-27-41(45)50-39;/h1-27H;/q-2;+2