5,15-diphenoxy-10,20-diphenyl-porphyrin-22,23-diide; nickel(2+)

Systemtic Name: 5,15-diphenoxy-10,20-diphenyl-porphyrin-22,23-diide; nickel(2+) Openeye Name: nickelous 5,15-diphenoxy-10,20-diphenyl-porphyrin-22,23-diide CAS Name: 5,15-diphenoxy-10,20-diphenylporphyrin-22,23-diide; nickel(2+) IUPAC Name: 5,15-diphenoxy-10,20-diphenylporphyrin-22,23-diide; nickel(2+) Traditional Name: nickelous 5,15-diphenoxy-10,20-diphenyl-porphine-22,23-diide Formula: C44H28N4NiO2 MolecularWeight: 703.41212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)OC7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)OC9=CC=CC=C9)[N-]3.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)OC7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)OC9=CC=CC=C9)[N-]3.[Ni+2]

InChI

InChI=1S/C44H28N4O2.Ni/c1-5-13-29(14-6-1)41-33-21-25-37(45-33)43(49-31-17-9-3-10-18-31)39-27-23-35(47-39)42(30-15-7-2-8-16-30)36-24-28-40(48-36)44(38-26-22-34(41)46-38)50-32-19-11-4-12-20-32;/h1-28H;/q-2;+2