4-[2-[4-[2-[4-(diphenylamino)phenyl]ethynyl]-2,5-bis(fluoranyl)phenyl]ethynyl]-N,N-diphenyl-aniline

Systemtic Name: 4-[2-[4-[2-[4-(diphenylamino)phenyl]ethynyl]-2,5-bis(fluoranyl)phenyl]ethynyl]-N,N-diphenyl-aniline Openeye Name: 4-[2-[2,5-difluoro-4-[2-[4-(N-phenylanilino)phenyl]ethynyl]phenyl]ethynyl]-N,N-diphenyl-aniline CAS Name: 4-[2-[2,5-difluoro-4-[2-[4-(N-phenylanilino)phenyl]ethynyl]phenyl]ethynyl]-N,N-diphenylaniline IUPAC Name: 4-[2-[2,5-difluoro-4-[2-[4-(N-phenylanilino)phenyl]ethynyl]phenyl]ethynyl]-N,N-diphenylaniline Traditional Name: [4-[2-[2,5-difluoro-4-[2-[4-(N-phenylanilino)phenyl]ethynyl]phenyl]ethynyl]phenyl]-diphenyl-amine Formula: C46H30F2N2 MolecularWeight: 648.740606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C#CC4=CC(=C(C=C4F)C#CC5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)F

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C#CC4=CC(=C(C=C4F)C#CC5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)F

InChI

InChI=1S/C46H30F2N2/c47-45-34-38(28-22-36-25-31-44(32-26-36)50(41-17-9-3-10-18-41)42-19-11-4-12-20-42)46(48)33-37(45)27-21-35-23-29-43(30-24-35)49(39-13-5-1-6-14-39)40-15-7-2-8-16-40/h1-20,23-26,29-34H