2,5-diphenyl-3,4-bis[3-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one

Systemtic Name: 2,5-diphenyl-3,4-bis[3-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one Openeye Name: 2,5-diphenyl-3,4-bis[3-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one CAS Name: 2,5-diphenyl-3,4-bis[3-(2-phenylethynyl)phenyl]-1-cyclopenta-2,4-dienone IUPAC Name: 2,5-diphenyl-3,4-bis[3-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one Traditional Name: 2,5-diphenyl-3,4-bis[3-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one Formula: C45H28O MolecularWeight: 584.70322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=CC=C2)C3=C(C(=O)C(=C3C4=CC=CC(=C4)C#CC5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=CC=C2)C3=C(C(=O)C(=C3C4=CC=CC(=C4)C#CC5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C45H28O/c46-45-43(37-21-9-3-10-22-37)41(39-25-13-19-35(31-39)29-27-33-15-5-1-6-16-33)42(44(45)38-23-11-4-12-24-38)40-26-14-20-36(32-40)30-28-34-17-7-2-8-18-34/h1-26,31-32H