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

Systemtic Name: 2-methyl-N,N-bis[2-methyl-4-phenanthren-4-yl-5-(trifluoromethyl)phenyl]-4-phenanthren-4-yl-5-(trifluoromethyl)aniline Openeye Name: 2-methyl-N,N-bis[2-methyl-4-(4-phenanthryl)-5-(trifluoromethyl)phenyl]-4-(4-phenanthryl)-5-(trifluoromethyl)aniline CAS Name: 2-methyl-N,N-bis[2-methyl-4-(4-phenanthrenyl)-5-(trifluoromethyl)phenyl]-4-(4-phenanthrenyl)-5-(trifluoromethyl)aniline IUPAC Name: 2-methyl-N,N-bis[2-methyl-4-phenanthren-4-yl-5-(trifluoromethyl)phenyl]-4-phenanthren-4-yl-5-(trifluoromethyl)aniline Traditional Name: tris[2-methyl-4-(4-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=CC=CC3=C2C4=CC=CC=C4C=C3)C(F)(F)F)N(C5=C(C=C(C(=C5)C(F)(F)F)C6=CC=CC7=C6C8=CC=CC=C8C=C7)C)C9=C(C=C(C(=C9)C(F)(F)F)C1=CC=CC2=C1C1=CC=CC=C1C=C2)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=CC=CC3=C2C4=CC=CC=C4C=C3)C(F)(F)F)N(C5=C(C=C(C(=C5)C(F)(F)F)C6=CC=CC7=C6C8=CC=CC=C8C=C7)C)C9=C(C=C(C(=C9)C(F)(F)F)C1=CC=CC2=C1C1=CC=CC=C1C=C2)C

InChI

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