zinc N-(4-methoxyphenyl)-4-[15-[4-[(4-methoxyphenyl)amino]phenyl]porphyrin-21,22-diid-5-yl]aniline

Systemtic Name: zinc N-(4-methoxyphenyl)-4-[15-[4-[(4-methoxyphenyl)amino]phenyl]porphyrin-21,22-diid-5-yl]aniline Openeye Name: zinc 4-[15-[4-(4-methoxyanilino)phenyl]porphyrin-21,22-diid-5-yl]-N-(4-methoxyphenyl)aniline CAS Name: zinc 4-[15-[4-(4-methoxyanilino)phenyl]-5-porphyrin-21,22-diidyl]-N-(4-methoxyphenyl)aniline IUPAC Name: zinc 4-[15-[4-(4-methoxyanilino)phenyl]porphyrin-21,22-diid-5-yl]-N-(4-methoxyphenyl)aniline Traditional Name: zinc (4-methoxyphenyl)-[4-[15-[4-(p-anisidino)phenyl]porphine-21,22-diid-5-yl]phenyl]amine Formula: C46H34N6O2Zn MolecularWeight: 768.21016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=CC=C(C=C2)C3=C4C=CC(=CC5=NC(=C(C6=NC(=CC7=CC=C3[N-]7)C=C6)C8=CC=C(C=C8)NC9=CC=C(C=C9)OC)C=C5)[N-]4.[Zn+2]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=CC=C(C=C2)C3=C4C=CC(=CC5=NC(=C(C6=NC(=CC7=CC=C3[N-]7)C=C6)C8=CC=C(C=C8)NC9=CC=C(C=C9)OC)C=C5)[N-]4.[Zn+2]

InChI

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