zinc N5,N15-dimethyl-N5,N15,10,20-tetraphenyl-porphyrin-21,22-diide-5,15-diamine

Systemtic Name: zinc N5,N15-dimethyl-N5,N15,10,20-tetraphenyl-porphyrin-21,22-diide-5,15-diamine Openeye Name: zinc N5,N15-dimethyl-N5,N15,10,20-tetraphenyl-porphyrin-21,22-diide-5,15-diamine CAS Name: zinc N5,N15-dimethyl-N5,N15,10,20-tetraphenylporphyrin-21,22-diide-5,15-diamine IUPAC Name: zinc 5-N,15-N-dimethyl-5-N,15-N,10,20-tetraphenylporphyrin-21,22-diide-5,15-diamine Traditional Name: zinc methyl-[15-(N-methylanilino)-10,20-diphenyl-porphine-21,22-diid-5-yl]-phenyl-amine Formula: C46H34N6Zn MolecularWeight: 736.21136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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