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

Systemtic Name: nickel(2+); 4-(10,15,20-triphenylporphyrin-21,22-diid-5-yl)butanenitrile Openeye Name: nickelous 4-(10,15,20-triphenylporphyrin-21,22-diid-5-yl)butanenitrile CAS Name: nickel(2+); 4-(10,15,20-triphenyl-5-porphyrin-21,22-diidyl)butanenitrile IUPAC Name: nickel(2+); 4-(10,15,20-triphenylporphyrin-21,22-diid-5-yl)butanenitrile Traditional Name: nickelous 4-(10,15,20-triphenylporphine-21,22-diid-5-yl)butyronitrile Formula: C42H29N5Ni MolecularWeight: 662.40656

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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)CCCC#N)[N-]3.[Ni+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)CCCC#N)[N-]3.[Ni+2]

InChI

InChI=1S/C42H29N5.Ni/c43-27-11-10-18-31-32-19-21-34(44-32)40(28-12-4-1-5-13-28)36-23-25-38(46-36)42(30-16-8-3-9-17-30)39-26-24-37(47-39)41(29-14-6-2-7-15-29)35-22-20-33(31)45-35;/h1-9,12-17,19-26H,10-11,18H2;/q-2;+2