N-(2-methylphenyl)-10,20-diphenyl-porphyrin-22,24-diid-5-amine; nickel(2+)

Systemtic Name: N-(2-methylphenyl)-10,20-diphenyl-porphyrin-22,24-diid-5-amine; nickel(2+) Openeye Name: nickelous N-(o-tolyl)-10,20-diphenyl-porphyrin-22,24-diid-5-amine CAS Name: N-(2-methylphenyl)-10,20-diphenyl-5-porphyrin-22,24-diidamine; nickel(2+) IUPAC Name: N-(2-methylphenyl)-10,20-diphenylporphyrin-22,24-diid-5-amine; nickel(2+) Traditional Name: nickelous (10,20-diphenylporphine-22,24-diid-5-yl)-(o-tolyl)amine Formula: C39H27N5Ni MolecularWeight: 624.35858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)[N-]4)C8=CC=CC=C8.[Ni+2]

Isomeric SMILES

CC1=CC=CC=C1NC2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)[N-]4)C8=CC=CC=C8.[Ni+2]

InChI

InChI=1S/C39H27N5.Ni/c1-25-10-8-9-15-30(25)44-39-35-22-20-33(42-35)37(26-11-4-2-5-12-26)31-18-16-28(40-31)24-29-17-19-32(41-29)38(27-13-6-3-7-14-27)34-21-23-36(39)43-34;/h2-24,44H,1H3;/q-2;+2