5,15-diphenyl-10-propan-2-yl-porphyrin-22,24-diide; nickel(2+)

Systemtic Name: 5,15-diphenyl-10-propan-2-yl-porphyrin-22,24-diide; nickel(2+) Openeye Name: nickelous 10-isopropyl-5,15-diphenyl-porphyrin-22,24-diide CAS Name: 5,15-diphenyl-10-propan-2-ylporphyrin-22,24-diide; nickel(2+) IUPAC Name: 5,15-diphenyl-10-propan-2-ylporphyrin-22,24-diide; nickel(2+) Traditional Name: nickelous 10-isopropyl-5,15-diphenyl-porphine-22,24-diide Formula: C35H26N4Ni MolecularWeight: 561.30114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C=CC(=N2)C(=C3C=CC(=CC4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)[N-]3)C7=CC=CC=C7.[Ni+2]

Isomeric SMILES

CC(C)C1=C2C=CC(=N2)C(=C3C=CC(=CC4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)[N-]3)C7=CC=CC=C7.[Ni+2]

InChI

InChI=1S/C35H26N4.Ni/c1-22(2)33-27-17-19-31(38-27)34(23-9-5-3-6-10-23)29-15-13-25(36-29)21-26-14-16-30(37-26)35(24-11-7-4-8-12-24)32-20-18-28(33)39-32;/h3-22H,1-2H3;/q-2;+2