N1,N4-diphenyl-N1,N4-bis(3,4,5-triphenylthiophen-2-yl)benzene-1,4-diamine

Systemtic Name: N1,N4-diphenyl-N1,N4-bis(3,4,5-triphenylthiophen-2-yl)benzene-1,4-diamine Openeye Name: N1,N4-diphenyl-N1,N4-bis(3,4,5-triphenyl-2-thienyl)benzene-1,4-diamine CAS Name: N1,N4-diphenyl-N1,N4-bis(3,4,5-triphenyl-2-thiophenyl)benzene-1,4-diamine IUPAC Name: 1-N,4-N-diphenyl-1-N,4-N-bis(3,4,5-triphenylthiophen-2-yl)benzene-1,4-diamine Traditional Name: phenyl-(3,4,5-triphenyl-2-thienyl)-[4-(N-(3,4,5-triphenyl-2-thienyl)anilino)phenyl]amine Formula: C62H44N2S2 MolecularWeight: 881.15616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC(=C2C3=CC=CC=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=C(C(=C(S7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC(=C2C3=CC=CC=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=C(C(=C(S7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1

InChI

InChI=1S/C62H44N2S2/c1-9-25-45(26-10-1)55-57(47-29-13-3-14-30-47)61(65-59(55)49-33-17-5-18-34-49)63(51-37-21-7-22-38-51)53-41-43-54(44-42-53)64(52-39-23-8-24-40-52)62-58(48-31-15-4-16-32-48)56(46-27-11-2-12-28-46)60(66-62)50-35-19-6-20-36-50/h1-44H