2-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-3-propan-2-yloxy-phenanthrene-1,4-dione

Systemtic Name: 2-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-3-propan-2-yloxy-phenanthrene-1,4-dione Openeye Name: 2-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-3-isopropoxy-phenanthrene-1,4-dione CAS Name: 2-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-3-propan-2-yloxyphenanthrene-1,4-dione IUPAC Name: 2-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-3-propan-2-yloxyphenanthrene-1,4-dione Traditional Name: 2-(10,20-diphenyl-23,24-dihydroporphin-5-yl)-3-isopropoxy-phenanthrene-1,4-quinone Formula: C49H34N4O3 MolecularWeight: 726.81926

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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=CC=C(N7)C(=C8C=CC4=N8)C9=CC=CC=C9)N6)C1=CC=CC=C1

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=CC=C(N7)C(=C8C=CC4=N8)C9=CC=CC=C9)N6)C1=CC=CC=C1

InChI

InChI=1S/C49H34N4O3/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/h3-28,50-51H,1-2H3