4-[4,5-bis[4-(2-phenylethynyl)phenyl]-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4,5-bis[4-(2-phenylethynyl)phenyl]-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4,5-bis[4-(2-phenylethynyl)phenyl]-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4,5-bis[4-(2-phenylethynyl)phenyl]-1,3-dihydroimidazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4,5-bis[4-(2-phenylethynyl)phenyl]-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4,5-bis[4-(2-phenylethynyl)phenyl]-4-imidazolin-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C37H24N2O MolecularWeight: 512.59926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=C(NC(=C4C=CC(=O)C=C4)N3)C5=CC=C(C=C5)C#CC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=C(NC(=C4C=CC(=O)C=C4)N3)C5=CC=C(C=C5)C#CC6=CC=CC=C6

InChI

InChI=1S/C37H24N2O/c40-34-25-23-33(24-26-34)37-38-35(31-19-15-29(16-20-31)13-11-27-7-3-1-4-8-27)36(39-37)32-21-17-30(18-22-32)14-12-28-9-5-2-6-10-28/h1-10,15-26,38-39H