4-[2-[3,4-bis(2-phenylethynyl)phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-1,2-bis(2-phenylethynyl)benzene

Systemtic Name: 4-[2-[3,4-bis(2-phenylethynyl)phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-1,2-bis(2-phenylethynyl)benzene Openeye Name: 4-[1-[3,4-bis(2-phenylethynyl)phenyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1,2-bis(2-phenylethynyl)benzene CAS Name: 4-[2-[3,4-bis(2-phenylethynyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-bis(2-phenylethynyl)benzene IUPAC Name: 4-[2-[3,4-bis(2-phenylethynyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-bis(2-phenylethynyl)benzene Traditional Name: 4-[1-[3,4-bis(2-phenylethynyl)phenyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1,2-bis(2-phenylethynyl)benzene Formula: C47H26F6 MolecularWeight: 704.699759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C(C=C(C=C2)C(C3=CC(=C(C=C3)C#CC4=CC=CC=C4)C#CC5=CC=CC=C5)(C(F)(F)F)C(F)(F)F)C#CC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C(C=C(C=C2)C(C3=CC(=C(C=C3)C#CC4=CC=CC=C4)C#CC5=CC=CC=C5)(C(F)(F)F)C(F)(F)F)C#CC6=CC=CC=C6

InChI

InChI=1S/C47H26F6/c48-46(49,50)45(47(51,52)53,43-31-29-39(25-21-35-13-5-1-6-14-35)41(33-43)27-23-37-17-9-3-10-18-37)44-32-30-40(26-22-36-15-7-2-8-16-36)42(34-44)28-24-38-19-11-4-12-20-38/h1-20,29-34H