zinc 5-(9,10-dimethoxyphenanthren-3-yl)-10,15,20-triphenyl-porphyrin-22,24-diide

Systemtic Name: zinc 5-(9,10-dimethoxyphenanthren-3-yl)-10,15,20-triphenyl-porphyrin-22,24-diide Openeye Name: zinc 5-(9,10-dimethoxy-3-phenanthryl)-10,15,20-triphenyl-porphyrin-22,24-diide CAS Name: zinc 5-(9,10-dimethoxy-3-phenanthrenyl)-10,15,20-triphenylporphyrin-22,24-diide IUPAC Name: zinc 5-(9,10-dimethoxyphenanthren-3-yl)-10,15,20-triphenylporphyrin-22,24-diide Traditional Name: zinc 5-(9,10-dimethoxy-3-phenanthryl)-10,15,20-triphenyl-porphine-22,24-diide Formula: C54H36N4O2Zn MolecularWeight: 838.29824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C3=C1C=CC(=C3)C4=C5C=CC(=N5)C(=C6C=CC(=C(C7=NC(=C(C8=CC=C4[N-]8)C9=CC=CC=C9)C=C7)C1=CC=CC=C1)[N-]6)C1=CC=CC=C1)OC.[Zn+2]

Isomeric SMILES

COC1=C(C2=CC=CC=C2C3=C1C=CC(=C3)C4=C5C=CC(=N5)C(=C6C=CC(=C(C7=NC(=C(C8=CC=C4[N-]8)C9=CC=CC=C9)C=C7)C1=CC=CC=C1)[N-]6)C1=CC=CC=C1)OC.[Zn+2]

InChI

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