zinc 2-methyl-N-[4-[15-[4-[(2-methylphenyl)amino]phenyl]porphyrin-21,22-diid-5-yl]phenyl]aniline

Systemtic Name: zinc 2-methyl-N-[4-[15-[4-[(2-methylphenyl)amino]phenyl]porphyrin-21,22-diid-5-yl]phenyl]aniline Openeye Name: zinc 2-methyl-N-[4-[15-[4-(2-methylanilino)phenyl]porphyrin-21,22-diid-5-yl]phenyl]aniline CAS Name: zinc 2-methyl-N-[4-[15-[4-(2-methylanilino)phenyl]-5-porphyrin-21,22-diidyl]phenyl]aniline IUPAC Name: zinc 2-methyl-N-[4-[15-[4-(2-methylanilino)phenyl]porphyrin-21,22-diid-5-yl]phenyl]aniline Traditional Name: zinc [4-[15-[4-(o-toluidino)phenyl]porphine-21,22-diid-5-yl]phenyl]-(o-tolyl)amine Formula: C46H34N6Zn MolecularWeight: 736.21136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=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=CC=C9C)C=C5)[N-]4.[Zn+2]

Isomeric SMILES

CC1=CC=CC=C1NC2=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=CC=C9C)C=C5)[N-]4.[Zn+2]

InChI

InChI=1S/C46H34N6.Zn/c1-29-7-3-5-9-39(29)47-33-15-11-31(12-16-33)45-41-23-19-35(49-41)27-37-21-25-43(51-37)46(44-26-22-38(52-44)28-36-20-24-42(45)50-36)32-13-17-34(18-14-32)48-40-10-6-4-8-30(40)2;/h3-28,47-48H,1-2H3;/q-2;+2