zinc N5,N15-bis(4-methylphenyl)-10,20-diphenyl-porphyrin-21,22-diide-5,15-diamine

Systemtic Name: zinc N5,N15-bis(4-methylphenyl)-10,20-diphenyl-porphyrin-21,22-diide-5,15-diamine Openeye Name: zinc 10,20-diphenyl-N5,N15-bis(p-tolyl)porphyrin-21,22-diide-5,15-diamine CAS Name: zinc N5,N15-bis(4-methylphenyl)-10,20-diphenylporphyrin-21,22-diide-5,15-diamine IUPAC Name: zinc 5-N,15-N-bis(4-methylphenyl)-10,20-diphenylporphyrin-21,22-diide-5,15-diamine Traditional Name: zinc [10,20-diphenyl-15-(p-toluidino)porphine-21,22-diid-5-yl]-(p-tolyl)amine Formula: C46H34N6Zn MolecularWeight: 736.21136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)NC8=CC=C(C=C8)C)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)NC8=CC=C(C=C8)C)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]

InChI

InChI=1S/C46H34N6.Zn/c1-29-13-17-33(18-14-29)47-45-39-25-21-35(49-39)43(31-9-5-3-6-10-31)37-23-27-41(51-37)46(48-34-19-15-30(2)16-20-34)42-28-24-38(52-42)44(32-11-7-4-8-12-32)36-22-26-40(45)50-36;/h3-28,47-48H,1-2H3;/q-2;+2