5,15-diphenyl-10-pyrrolidin-1-yl-porphyrin-22,23-diide; nickel(2+)

Systemtic Name: 5,15-diphenyl-10-pyrrolidin-1-yl-porphyrin-22,23-diide; nickel(2+) Openeye Name: nickelous 5,15-diphenyl-10-pyrrolidin-1-yl-porphyrin-22,23-diide CAS Name: 5,15-diphenyl-10-(1-pyrrolidinyl)porphyrin-22,23-diide; nickel(2+) IUPAC Name: 5,15-diphenyl-10-pyrrolidin-1-ylporphyrin-22,23-diide; nickel(2+) Traditional Name: nickelous 5,15-diphenyl-10-pyrrolidino-porphine-22,23-diide Formula: C36H27N5Ni MolecularWeight: 588.32648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C=C4)C8=CC=CC=C8)[N-]3.[Ni+2]

Isomeric SMILES

C1CCN(C1)C2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C=C4)C8=CC=CC=C8)[N-]3.[Ni+2]

InChI

InChI=1S/C36H27N5.Ni/c1-3-9-24(10-4-1)34-28-15-13-26(37-28)23-27-14-16-29(38-27)35(25-11-5-2-6-12-25)31-18-20-33(40-31)36(41-21-7-8-22-41)32-19-17-30(34)39-32;/h1-6,9-20,23H,7-8,21-22H2;/q-2;+2