1,3,4,6,6-pentakis-phenylhexa-4,5-dien-1-yn-3-ylbenzene

Systemtic Name: 1,3,4,6,6-pentakis-phenylhexa-4,5-dien-1-yn-3-ylbenzene Openeye Name: [1-(2,2-diphenylethenylidene)-2,2,4-triphenyl-but-3-ynyl]benzene CAS Name: 1,3,4,6,6-pentakis-phenylhexa-4,5-dien-1-yn-3-ylbenzene IUPAC Name: 1,3,4,6,6-pentakis-phenylhexa-4,5-dien-1-yn-3-ylbenzene Traditional Name: [3,3-diphenyl-1-(1,1,3-triphenylprop-2-ynyl)propa-1,2-dienyl]benzene Formula: C42H30 MolecularWeight: 534.6876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=C=C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=C=C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C42H30/c1-7-19-34(20-8-1)31-32-42(38-27-15-5-16-28-38,39-29-17-6-18-30-39)41(37-25-13-4-14-26-37)33-40(35-21-9-2-10-22-35)36-23-11-3-12-24-36/h1-30H