zinc 10-(4-methylphenyl)-5,15-diphenyl-porphyrin-22,23-diide

Systemtic Name: zinc 10-(4-methylphenyl)-5,15-diphenyl-porphyrin-22,23-diide Openeye Name: zinc 5,15-diphenyl-10-(p-tolyl)porphyrin-22,23-diide CAS Name: zinc 10-(4-methylphenyl)-5,15-diphenylporphyrin-22,23-diide IUPAC Name: zinc 10-(4-methylphenyl)-5,15-diphenylporphyrin-22,23-diide Traditional Name: zinc 5,15-diphenyl-10-(p-tolyl)porphine-22,23-diide Formula: C39H26N4Zn MolecularWeight: 616.05954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=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.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=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.[Zn+2]

InChI

InChI=1S/C39H26N4.Zn/c1-25-12-14-28(15-13-25)39-35-22-20-33(42-35)37(26-8-4-2-5-9-26)31-18-16-29(40-31)24-30-17-19-32(41-30)38(27-10-6-3-7-11-27)34-21-23-36(39)43-34;/h2-24H,1H3;/q-2;+2