zinc N-methyl-N,10,20-triphenyl-porphyrin-22,24-diid-5-amine

Systemtic Name: zinc N-methyl-N,10,20-triphenyl-porphyrin-22,24-diid-5-amine Openeye Name: zinc N-methyl-N,10,20-triphenyl-porphyrin-22,24-diid-5-amine CAS Name: zinc N-methyl-N,10,20-triphenyl-5-porphyrin-22,24-diidamine IUPAC Name: zinc N-methyl-N,10,20-triphenylporphyrin-22,24-diid-5-amine Traditional Name: zinc (10,20-diphenylporphine-22,24-diid-5-yl)-methyl-phenyl-amine Formula: C39H27N5Zn MolecularWeight: 631.07418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)[N-]4)C8=CC=CC=C8.[Zn+2]

Isomeric SMILES

CN(C1=CC=CC=C1)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)[N-]4)C8=CC=CC=C8.[Zn+2]

InChI

InChI=1S/C39H27N5.Zn/c1-44(30-15-9-4-10-16-30)39-35-23-21-33(42-35)37(26-11-5-2-6-12-26)31-19-17-28(40-31)25-29-18-20-32(41-29)38(27-13-7-3-8-14-27)34-22-24-36(39)43-34;/h2-25H,1H3;/q-2;+2