zinc 5,10,15-tris(4-azidophenyl)-20-phenyl-porphyrin-22,23-diide

Systemtic Name: zinc 5,10,15-tris(4-azidophenyl)-20-phenyl-porphyrin-22,23-diide Openeye Name: zinc 5,10,15-tris(4-azidophenyl)-20-phenyl-porphyrin-22,23-diide CAS Name: zinc 5,10,15-tris(4-azidophenyl)-20-phenylporphyrin-22,23-diide IUPAC Name: zinc 5,10,15-tris(4-azidophenyl)-20-phenylporphyrin-22,23-diide Traditional Name: zinc 5,10,15-tris(4-azidophenyl)-20-phenyl-porphine-22,23-diide Formula: C44H25N13Zn MolecularWeight: 801.1654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)N=[N+]=[N-])C8=CC=C(C=C8)N=[N+]=[N-])[N-]4)C9=CC=C(C=C9)N=[N+]=[N-].[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)N=[N+]=[N-])C8=CC=C(C=C8)N=[N+]=[N-])[N-]4)C9=CC=C(C=C9)N=[N+]=[N-].[Zn+2]

InChI

InChI=1S/C44H25N13.Zn/c45-55-52-30-12-6-27(7-13-30)42-35-20-18-33(48-35)41(26-4-2-1-3-5-26)34-19-21-36(49-34)43(28-8-14-31(15-9-28)53-56-46)38-23-25-40(51-38)44(39-24-22-37(42)50-39)29-10-16-32(17-11-29)54-57-47;/h1-25H;/q-2;+2