zinc N-(4-methylphenyl)-10,15,20-triphenyl-porphyrin-23,24-diid-5-amine

Systemtic Name: zinc N-(4-methylphenyl)-10,15,20-triphenyl-porphyrin-23,24-diid-5-amine Openeye Name: zinc 10,15,20-triphenyl-N-(p-tolyl)porphyrin-23,24-diid-5-amine CAS Name: zinc N-(4-methylphenyl)-10,15,20-triphenyl-5-porphyrin-23,24-diidamine IUPAC Name: zinc N-(4-methylphenyl)-10,15,20-triphenylporphyrin-23,24-diid-5-amine Traditional Name: zinc p-tolyl-(10,15,20-triphenylporphine-23,24-diid-5-yl)amine Formula: C45H31N5Zn MolecularWeight: 707.17014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)[N-]4)C9=CC=CC=C9.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)[N-]4)C9=CC=CC=C9.[Zn+2]

InChI

InChI=1S/C45H31N5.Zn/c1-29-17-19-33(20-18-29)46-45-40-27-25-38(49-40)43(31-13-7-3-8-14-31)36-23-21-34(47-36)42(30-11-5-2-6-12-30)35-22-24-37(48-35)44(32-15-9-4-10-16-32)39-26-28-41(45)50-39;/h2-28,46H,1H3;/q-2;+2