zinc 5-(9,10-dimethoxyphenanthren-1-yl)-10,15,20-triphenyl-porphyrin-21,22-diide

Systemtic Name: zinc 5-(9,10-dimethoxyphenanthren-1-yl)-10,15,20-triphenyl-porphyrin-21,22-diide Openeye Name: zinc 5-(9,10-dimethoxy-1-phenanthryl)-10,15,20-triphenyl-porphyrin-21,22-diide CAS Name: zinc 5-(9,10-dimethoxy-1-phenanthrenyl)-10,15,20-triphenylporphyrin-21,22-diide IUPAC Name: zinc 5-(9,10-dimethoxyphenanthren-1-yl)-10,15,20-triphenylporphyrin-21,22-diide Traditional Name: zinc 5-(9,10-dimethoxy-1-phenanthryl)-10,15,20-triphenyl-porphine-21,22-diide Formula: C54H36N4O2Zn MolecularWeight: 838.29824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=CC=C2C3=C4C=CC(=C(C5=NC(=C(C6=NC(=C(C7=CC=C3[N-]7)C8=CC=CC=C8)C=C6)C9=CC=CC=C9)C=C5)C2=CC=CC=C2)[N-]4)C2=CC=CC=C21)OC.[Zn+2]

Isomeric SMILES

COC1=C(C2=C(C=CC=C2C3=C4C=CC(=C(C5=NC(=C(C6=NC(=C(C7=CC=C3[N-]7)C8=CC=CC=C8)C=C6)C9=CC=CC=C9)C=C5)C2=CC=CC=C2)[N-]4)C2=CC=CC=C21)OC.[Zn+2]

InChI

InChI=1S/C54H36N4O2.Zn/c1-59-53-38-22-13-12-21-36(38)37-23-14-24-39(51(37)54(53)60-2)52-46-31-29-44(57-46)49(34-17-8-4-9-18-34)42-27-25-40(55-42)48(33-15-6-3-7-16-33)41-26-28-43(56-41)50(35-19-10-5-11-20-35)45-30-32-47(52)58-45;/h3-32H,1-2H3;/q-2;+2