2-[[15-[2-(4-dimethylaminophenyl)ethynyl]-10,20-diphenyl-porphyrin-23,24-diid-5-yl]methylidene]propanedinitrile; nickel(2+)

Systemtic Name: 2-[[15-[2-(4-dimethylaminophenyl)ethynyl]-10,20-diphenyl-porphyrin-23,24-diid-5-yl]methylidene]propanedinitrile; nickel(2+) Openeye Name: nickelous 2-[[15-[2-(4-dimethylaminophenyl)ethynyl]-10,20-diphenyl-porphyrin-23,24-diid-5-yl]methylene]propanedinitrile CAS Name: 2-[[15-[2-(4-dimethylaminophenyl)ethynyl]-10,20-diphenyl-5-porphyrin-23,24-diidyl]methylidene]propanedinitrile; nickel(2+) IUPAC Name: 2-[[15-[2-(4-dimethylaminophenyl)ethynyl]-10,20-diphenylporphyrin-23,24-diid-5-yl]methylidene]propanedinitrile; nickel(2+) Traditional Name: nickelous 2-[[15-[2-(4-dimethylaminophenyl)ethynyl]-10,20-diphenyl-porphine-23,24-diid-5-yl]methylene]malononitrile Formula: C46H29N7Ni MolecularWeight: 738.46276

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C#CC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C=C(C#N)C#N)C=C4)C8=CC=CC=C8)[N-]3.[Ni+2]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C#CC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C=C(C#N)C#N)C=C4)C8=CC=CC=C8)[N-]3.[Ni+2]

InChI

InChI=1S/C46H29N7.Ni/c1-53(2)34-16-13-30(14-17-34)15-18-35-37-19-23-41(49-37)45(32-9-5-3-6-10-32)43-25-21-39(51-43)36(27-31(28-47)29-48)40-22-26-44(52-40)46(33-11-7-4-8-12-33)42-24-20-38(35)50-42;/h3-14,16-17,19-27H,1-2H3;/q-2;+2