zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-3-propan-2-yloxy-phenanthrene-1,4-dione

Systemtic Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-3-propan-2-yloxy-phenanthrene-1,4-dione Openeye Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-3-isopropoxy-phenanthrene-1,4-dione CAS Name: zinc 2-(10,20-diphenyl-5-porphyrin-22,24-diidyl)-3-propan-2-yloxyphenanthrene-1,4-dione IUPAC Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-3-propan-2-yloxyphenanthrene-1,4-dione Traditional Name: zinc 2-(10,20-diphenylporphine-22,24-diid-5-yl)-3-isopropoxy-phenanthrene-1,4-quinone Formula: C49H32N4O3Zn MolecularWeight: 790.21238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C2=C(C1=O)C3=CC=CC=C3C=C2)C4=C5C=CC(=N5)C(=C6C=CC(=CC7=NC(=C(C8=CC=C4[N-]8)C9=CC=CC=C9)C=C7)[N-]6)C1=CC=CC=C1.[Zn+2]

Isomeric SMILES

CC(C)OC1=C(C(=O)C2=C(C1=O)C3=CC=CC=C3C=C2)C4=C5C=CC(=N5)C(=C6C=CC(=CC7=NC(=C(C8=CC=C4[N-]8)C9=CC=CC=C9)C=C7)[N-]6)C1=CC=CC=C1.[Zn+2]

InChI

InChI=1S/C49H34N4O3.Zn/c1-28(2)56-49-46(47(54)35-20-17-29-11-9-10-16-34(29)44(35)48(49)55)45-40-25-23-38(52-40)42(30-12-5-3-6-13-30)36-21-18-32(50-36)27-33-19-22-37(51-33)43(31-14-7-4-8-15-31)39-24-26-41(45)53-39;/h3-28H,1-2H3,(H2,50,51,52,53,54,55);/q;+2/p-2