zinc 4-[15-[4-(diphenylamino)phenyl]porphyrin-22,24-diid-5-yl]-N,N-diphenyl-aniline

Systemtic Name: zinc 4-[15-[4-(diphenylamino)phenyl]porphyrin-22,24-diid-5-yl]-N,N-diphenyl-aniline Openeye Name: zinc N,N-diphenyl-4-[15-[4-(N-phenylanilino)phenyl]porphyrin-22,24-diid-5-yl]aniline CAS Name: zinc N,N-diphenyl-4-[15-[4-(N-phenylanilino)phenyl]-5-porphyrin-22,24-diidyl]aniline IUPAC Name: zinc N,N-diphenyl-4-[15-[4-(N-phenylanilino)phenyl]porphyrin-22,24-diid-5-yl]aniline Traditional Name: zinc diphenyl-[4-[15-[4-(N-phenylanilino)phenyl]porphine-22,24-diid-5-yl]phenyl]amine Formula: C56H38N6Zn MolecularWeight: 860.35012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=C5C=CC(=CC6=NC(=C(C7=CC=C([N-]7)C=C8C=CC4=N8)C9=CC=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1)C=C6)[N-]5.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=C5C=CC(=CC6=NC(=C(C7=CC=C([N-]7)C=C8C=CC4=N8)C9=CC=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1)C=C6)[N-]5.[Zn+2]

InChI

InChI=1S/C56H38N6.Zn/c1-5-13-45(14-6-1)61(46-15-7-2-8-16-46)49-29-21-39(22-30-49)55-51-33-25-41(57-51)37-43-27-35-53(59-43)56(54-36-28-44(60-54)38-42-26-34-52(55)58-42)40-23-31-50(32-24-40)62(47-17-9-3-10-18-47)48-19-11-4-12-20-48;/h1-38H;/q-2;+2