zinc N-methyl-N,10,15,20-tetraphenyl-porphyrin-23,24-diid-5-amine

Systemtic Name: zinc N-methyl-N,10,15,20-tetraphenyl-porphyrin-23,24-diid-5-amine Openeye Name: zinc N-methyl-N,10,15,20-tetraphenyl-porphyrin-23,24-diid-5-amine CAS Name: zinc N-methyl-N,10,15,20-tetraphenyl-5-porphyrin-23,24-diidamine IUPAC Name: zinc N-methyl-N,10,15,20-tetraphenylporphyrin-23,24-diid-5-amine Traditional Name: zinc methyl-phenyl-(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:

CN(C1=CC=CC=C1)C2=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

CN(C1=CC=CC=C1)C2=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/c1-50(33-20-12-5-13-21-33)45-40-28-26-38(48-40)43(31-16-8-3-9-17-31)36-24-22-34(46-36)42(30-14-6-2-7-15-30)35-23-25-37(47-35)44(32-18-10-4-11-19-32)39-27-29-41(45)49-39;/h2-29H,1H3;/q-2;+2