zinc N5,N5,N15,N15,10,20-hexakis-phenylporphyrin-22,23-diide-5,15-diamine

Systemtic Name: zinc N5,N5,N15,N15,10,20-hexakis-phenylporphyrin-22,23-diide-5,15-diamine Openeye Name: zinc N5,N5,N15,N15,10,20-hexakis-phenylporphyrin-22,23-diide-5,15-diamine CAS Name: zinc N5,N5,N15,N15,10,20-hexakis-phenylporphyrin-22,23-diide-5,15-diamine IUPAC Name: zinc 5-N,5-N,15-N,15-N,10,20-hexakis-phenylporphyrin-22,23-diide-5,15-diamine Traditional Name: zinc [10,20-diphenyl-15-(N-phenylanilino)porphine-22,23-diid-5-yl]-diphenyl-amine Formula: C56H38N6Zn MolecularWeight: 860.35012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)N(C7=CC=CC=C7)C8=CC=CC=C8)C=C5)C9=CC=CC=C9)C=C4)N(C1=CC=CC=C1)C1=CC=CC=C1)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)N(C7=CC=CC=C7)C8=CC=CC=C8)C=C5)C9=CC=CC=C9)C=C4)N(C1=CC=CC=C1)C1=CC=CC=C1)[N-]3.[Zn+2]

InChI

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