1,3,8-trimethoxy-6-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)anthracene-9,10-dione

Systemtic Name: 1,3,8-trimethoxy-6-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)anthracene-9,10-dione Openeye Name: 1,3,8-trimethoxy-6-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)anthracene-9,10-dione CAS Name: 1,3,8-trimethoxy-6-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)anthracene-9,10-dione IUPAC Name: 1,3,8-trimethoxy-6-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)anthracene-9,10-dione Traditional Name: 1,3,8-trimethoxy-6-(10,15,20-triphenyl-21,22-dihydroporphin-5-yl)-9,10-anthraquinone Formula: C55H38N4O5 MolecularWeight: 834.91402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC(=C3)C4=C5C=CC(=C(C6=NC(=C(C7=NC(=C(C8=CC=C4N8)C9=CC=CC=C9)C=C7)C1=CC=CC=C1)C=C6)C1=CC=CC=C1)N5)OC)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC(=C3)C4=C5C=CC(=C(C6=NC(=C(C7=NC(=C(C8=CC=C4N8)C9=CC=CC=C9)C=C7)C1=CC=CC=C1)C=C6)C1=CC=CC=C1)N5)OC)OC

InChI

InChI=1S/C55H38N4O5/c1-62-35-29-37-53(47(30-35)64-3)55(61)52-36(54(37)60)27-34(28-46(52)63-2)51-44-25-23-42(58-44)49(32-15-9-5-10-16-32)40-21-19-38(56-40)48(31-13-7-4-8-14-31)39-20-22-41(57-39)50(33-17-11-6-12-18-33)43-24-26-45(51)59-43/h4-30,58-59H,1-3H3