2,4,5-tris[4-(2-phenylethynyl)phenyl]-1H-imidazole

Systemtic Name: 2,4,5-tris[4-(2-phenylethynyl)phenyl]-1H-imidazole Openeye Name: 2,4,5-tris[4-(2-phenylethynyl)phenyl]-1H-imidazole CAS Name: 2,4,5-tris[4-(2-phenylethynyl)phenyl]-1H-imidazole IUPAC Name: 2,4,5-tris[4-(2-phenylethynyl)phenyl]-1H-imidazole Traditional Name: 2,4,5-tris[4-(2-phenylethynyl)phenyl]-1H-imidazole Formula: C45H28N2 MolecularWeight: 596.71722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=C(N=C(N3)C4=CC=C(C=C4)C#CC5=CC=CC=C5)C6=CC=C(C=C6)C#CC7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=C(N=C(N3)C4=CC=C(C=C4)C#CC5=CC=CC=C5)C6=CC=C(C=C6)C#CC7=CC=CC=C7

InChI

InChI=1S/C45H28N2/c1-4-10-34(11-5-1)16-19-37-22-28-40(29-23-37)43-44(41-30-24-38(25-31-41)20-17-35-12-6-2-7-13-35)47-45(46-43)42-32-26-39(27-33-42)21-18-36-14-8-3-9-15-36/h1-15,22-33H,(H,46,47)