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

Systemtic Name: 2,5-diphenyl-3,4-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one Openeye Name: 2,5-diphenyl-3,4-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one CAS Name: 2,5-diphenyl-3,4-bis[4-(2-phenylethynyl)phenyl]-1-cyclopenta-2,4-dienone IUPAC Name: 2,5-diphenyl-3,4-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one Traditional Name: 2,5-diphenyl-3,4-bis[4-(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=C(C=C2)C3=C(C(=O)C(=C3C4=CC=C(C=C4)C#CC5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

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

InChI

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