2-[(15-bromanyl-10,20-diphenyl-porphyrin-23,24-diid-5-yl)methylidene]propanedinitrile; nickel(2+)

Systemtic Name: 2-[(15-bromanyl-10,20-diphenyl-porphyrin-23,24-diid-5-yl)methylidene]propanedinitrile; nickel(2+) Openeye Name: nickelous 2-[(15-bromo-10,20-diphenyl-porphyrin-23,24-diid-5-yl)methylene]propanedinitrile CAS Name: 2-[(15-bromo-10,20-diphenyl-5-porphyrin-23,24-diidyl)methylidene]propanedinitrile; nickel(2+) IUPAC Name: 2-[(15-bromo-10,20-diphenylporphyrin-23,24-diid-5-yl)methylidene]propanedinitrile; nickel(2+) Traditional Name: nickelous 2-[(15-bromo-10,20-diphenyl-porphine-23,24-diid-5-yl)methylene]malononitrile Formula: C36H19BrN6Ni MolecularWeight: 674.17366

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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)C=C(C#N)C#N)C7=CC=CC=C7)Br)[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)C=C(C#N)C#N)C7=CC=CC=C7)Br)[N-]3.[Ni+2]

InChI

InChI=1S/C36H19BrN6.Ni/c37-36-32-17-15-30(42-32)34(23-7-3-1-4-8-23)28-13-11-26(40-28)25(19-22(20-38)21-39)27-12-14-29(41-27)35(24-9-5-2-6-10-24)31-16-18-33(36)43-31;/h1-19H;/q-2;+2