2-methyl-N,N-bis[2-methyl-4-phenanthren-9-yl-5-(trifluoromethyl)phenyl]-4-phenanthren-9-yl-5-(trifluoromethyl)aniline

Systemtic Name: 2-methyl-N,N-bis[2-methyl-4-phenanthren-9-yl-5-(trifluoromethyl)phenyl]-4-phenanthren-9-yl-5-(trifluoromethyl)aniline Openeye Name: 2-methyl-N,N-bis[2-methyl-4-(9-phenanthryl)-5-(trifluoromethyl)phenyl]-4-(9-phenanthryl)-5-(trifluoromethyl)aniline CAS Name: 2-methyl-N,N-bis[2-methyl-4-(9-phenanthrenyl)-5-(trifluoromethyl)phenyl]-4-(9-phenanthrenyl)-5-(trifluoromethyl)aniline IUPAC Name: 2-methyl-N,N-bis[2-methyl-4-phenanthren-9-yl-5-(trifluoromethyl)phenyl]-4-phenanthren-9-yl-5-(trifluoromethyl)aniline Traditional Name: tris[2-methyl-4-(9-phenanthryl)-5-(trifluoromethyl)phenyl]amine Formula: C66H42F9N MolecularWeight: 1020.032009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=CC3=CC=CC=C3C4=CC=CC=C42)C(F)(F)F)N(C5=C(C=C(C(=C5)C(F)(F)F)C6=CC7=CC=CC=C7C8=CC=CC=C86)C)C9=C(C=C(C(=C9)C(F)(F)F)C1=CC2=CC=CC=C2C2=CC=CC=C21)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=CC3=CC=CC=C3C4=CC=CC=C42)C(F)(F)F)N(C5=C(C=C(C(=C5)C(F)(F)F)C6=CC7=CC=CC=C7C8=CC=CC=C86)C)C9=C(C=C(C(=C9)C(F)(F)F)C1=CC2=CC=CC=C2C2=CC=CC=C21)C

InChI

InChI=1S/C66H42F9N/c1-37-28-55(52-31-40-16-4-7-19-43(40)46-22-10-13-25-49(46)52)58(64(67,68)69)34-61(37)76(62-35-59(65(70,71)72)56(29-38(62)2)53-32-41-17-5-8-20-44(41)47-23-11-14-26-50(47)53)63-36-60(66(73,74)75)57(30-39(63)3)54-33-42-18-6-9-21-45(42)48-24-12-15-27-51(48)54/h4-36H,1-3H3