4-[2-[3-azanyl-4-[(4-phenoxyphenyl)amino]phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-N1-(4-phenoxyphenyl)benzene-1,2-diamine

Systemtic Name: 4-[2-[3-azanyl-4-[(4-phenoxyphenyl)amino]phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-N1-(4-phenoxyphenyl)benzene-1,2-diamine Openeye Name: 4-[1-[3-amino-4-(4-phenoxyanilino)phenyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-N1-(4-phenoxyphenyl)benzene-1,2-diamine CAS Name: 4-[2-[3-amino-4-(4-phenoxyanilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N1-(4-phenoxyphenyl)benzene-1,2-diamine IUPAC Name: 4-[2-[3-amino-4-(4-phenoxyanilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-N-(4-phenoxyphenyl)benzene-1,2-diamine Traditional Name: [2-amino-4-[1-[3-amino-4-(4-phenoxyanilino)phenyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenyl]-(4-phenoxyphenyl)amine Formula: C39H30F6N4O2 MolecularWeight: 700.671519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C=C(C=C3)C(C4=CC(=C(C=C4)NC5=CC=C(C=C5)OC6=CC=CC=C6)N)(C(F)(F)F)C(F)(F)F)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C=C(C=C3)C(C4=CC(=C(C=C4)NC5=CC=C(C=C5)OC6=CC=CC=C6)N)(C(F)(F)F)C(F)(F)F)N

InChI

InChI=1S/C39H30F6N4O2/c40-38(41,42)37(39(43,44)45,25-11-21-35(33(46)23-25)48-27-13-17-31(18-14-27)50-29-7-3-1-4-8-29)26-12-22-36(34(47)24-26)49-28-15-19-32(20-16-28)51-30-9-5-2-6-10-30/h1-24,48-49H,46-47H2