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

Systemtic Name: zinc N5,N15-bis(4-methoxyphenyl)-10,20-diphenyl-porphyrin-21,22-diide-5,15-diamine Openeye Name: zinc N5,N15-bis(4-methoxyphenyl)-10,20-diphenyl-porphyrin-21,22-diide-5,15-diamine CAS Name: zinc N5,N15-bis(4-methoxyphenyl)-10,20-diphenylporphyrin-21,22-diide-5,15-diamine IUPAC Name: zinc 5-N,15-N-bis(4-methoxyphenyl)-10,20-diphenylporphyrin-21,22-diide-5,15-diamine Traditional Name: zinc (4-methoxyphenyl)-[15-(p-anisidino)-10,20-diphenyl-porphine-21,22-diid-5-yl]amine Formula: C46H34N6O2Zn MolecularWeight: 768.21016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=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)OC)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]

Isomeric SMILES

COC1=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)OC)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]

InChI

InChI=1S/C46H34N6O2.Zn/c1-53-33-17-13-31(14-18-33)47-45-39-25-21-35(49-39)43(29-9-5-3-6-10-29)37-23-27-41(51-37)46(48-32-15-19-34(54-2)20-16-32)42-28-24-38(52-42)44(30-11-7-4-8-12-30)36-22-26-40(45)50-36;/h3-28,47-48H,1-2H3;/q-2;+2