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

Systemtic Name: 3-[3,5-bis(2-phenylethynyl)phenyl]-2,4,5-triphenyl-cyclopenta-2,4-dien-1-one Openeye Name: 3-[3,5-bis(2-phenylethynyl)phenyl]-2,4,5-triphenyl-cyclopenta-2,4-dien-1-one CAS Name: 3-[3,5-bis(2-phenylethynyl)phenyl]-2,4,5-triphenyl-1-cyclopenta-2,4-dienone IUPAC Name: 3-[3,5-bis(2-phenylethynyl)phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one Traditional Name: 3-[3,5-bis(2-phenylethynyl)phenyl]-2,4,5-triphenyl-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)C5=CC=CC=C5)C6=CC=CC=C6)C#CC7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=CC(=C2)C3=C(C(=O)C(=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C#CC7=CC=CC=C7

InChI

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