2-[(10,20-diphenylporphyrin-22,24-diid-5-yl)methylidene]propanedinitrile; nickel(2+)

Systemtic Name: 2-[(10,20-diphenylporphyrin-22,24-diid-5-yl)methylidene]propanedinitrile; nickel(2+) Openeye Name: nickelous 2-[(10,20-diphenylporphyrin-22,24-diid-5-yl)methylene]propanedinitrile CAS Name: 2-[(10,20-diphenyl-5-porphyrin-22,24-diidyl)methylidene]propanedinitrile; nickel(2+) IUPAC Name: 2-[(10,20-diphenylporphyrin-22,24-diid-5-yl)methylidene]propanedinitrile; nickel(2+) Traditional Name: nickelous 2-[(10,20-diphenylporphine-22,24-diid-5-yl)methylene]malononitrile Formula: C36H20N6Ni MolecularWeight: 595.2776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C=C(C#N)C#N)C7=CC=CC=C7)C=C4)[N-]3.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C=C(C#N)C#N)C7=CC=CC=C7)C=C4)[N-]3.[Ni+2]

InChI

InChI=1S/C36H20N6.Ni/c37-21-23(22-38)19-28-29-15-17-33(41-29)35(24-7-3-1-4-8-24)31-13-11-26(39-31)20-27-12-14-32(40-27)36(25-9-5-2-6-10-25)34-18-16-30(28)42-34;/h1-20H;/q-2;+2