[4-[bis(4-acridin-9-ylcarbonyloxyphenyl)methyl]phenyl] acridine-9-carboxylate

Systemtic Name: [4-[bis(4-acridin-9-ylcarbonyloxyphenyl)methyl]phenyl] acridine-9-carboxylate Openeye Name: [4-[bis[4-(acridine-9-carbonyloxy)phenyl]methyl]phenyl] acridine-9-carboxylate CAS Name: 9-acridinecarboxylic acid [4-[bis[4-[9-acridinyl(oxo)methoxy]phenyl]methyl]phenyl] ester IUPAC Name: [4-[bis[4-(acridine-9-carbonyloxy)phenyl]methyl]phenyl] acridine-9-carboxylate Traditional Name: acridine-9-carboxylic acid [4-[bis[4-(acridine-9-carbonyloxy)phenyl]methyl]phenyl] ester Formula: C61H37N3O6 MolecularWeight: 907.96298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)OC4=CC=C(C=C4)C(C5=CC=C(C=C5)OC(=O)C6=C7C=CC=CC7=NC8=CC=CC=C86)C9=CC=C(C=C9)OC(=O)C1=C2C=CC=CC2=NC2=CC=CC=C21

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)OC4=CC=C(C=C4)C(C5=CC=C(C=C5)OC(=O)C6=C7C=CC=CC7=NC8=CC=CC=C86)C9=CC=C(C=C9)OC(=O)C1=C2C=CC=CC2=NC2=CC=CC=C21

InChI

InChI=1S/C61H37N3O6/c65-59(56-43-13-1-7-19-49(43)62-50-20-8-2-14-44(50)56)68-40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)69-60(66)57-45-15-3-9-21-51(45)63-52-22-10-4-16-46(52)57)39-29-35-42(36-30-39)70-61(67)58-47-17-5-11-23-53(47)64-54-24-12-6-18-48(54)58/h1-36,55H