3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline

C118H40F61N5 — CID 160942126

IUPAC3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline
SMILESFC(F)(F)c1cc(N(c2ccc(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)cc2)c2ccc(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)cc2)cc(C(F)(F)F)c1.Fc1c(F)c(F)c(N(c2ccc(N(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(F)c1F.Fc1cc(-c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c1N(c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C44H24F11N3.C38H15F24N.C36HF26N/c45-37-38(46)40(48)42(41(49)39(37)47)57(31-21-23-32(24-22-31)58-35-7-3-1-5-33(35)34-6-2-4-8-36(34)58)30-19-17-29(18-20-30)56(27-13-9-25(10-14-27)43(50,51)52)28-15-11-26(12-16-28)44(53,54)55;39-31(40,41)18-9-19(32(42,43)44)11-24(10-18)63(22-5-1-16(2-6-22)29-25(35(51,52)53)12-20(33(45,46)47)13-26(29)36(54,55)56)23-7-3-17(4-8-23)30-27(37(57,58)59)14-21(34(48,49)50)15-28(30)38(60,61)62;37-3-1-2(4-10(39)20(49)26(55)21(50)11(4)40)9(38)29(58)34(3)63(35-30(59)16(45)7(17(46)31(35)60)5-12(41)22(51)27(56)23(52)13(5)42)36-32(61)18(47)8(19(48)33(36)62)6-14(43)24(53)28(57)25(54)15(6)44/h1-24H;1-15H;1H
InChIKeySUQHQOKUZKDQEF-UHFFFAOYSA-N
MW2686.53 g/mol
LogP44.87
Rot. Bonds18

About 3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline

3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline (PubChem CID 160942126) has the molecular formula C118H40F61N5 and a molecular weight of 2686.53 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline
PubChem CID160942126
Molecular FormulaC118H40F61N5
Molecular Weight2686.53 g/mol
Exact Mass2685.23
IUPAC Name3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline
SMILESFC(F)(F)c1cc(N(c2ccc(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)cc2)c2ccc(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)cc2)cc(C(F)(F)F)c1.Fc1c(F)c(F)c(N(c2ccc(N(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(F)c1F.Fc1cc(-c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c1N(c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C44H24F11N3.C38H15F24N.C36HF26N/c45-37-38(46)40(48)42(41(49)39(37)47)57(31-21-23-32(24-22-31)58-35-7-3-1-5-33(35)34-6-2-4-8-36(34)58)30-19-17-29(18-20-30)56(27-13-9-25(10-14-27)43(50,51)52)28-15-11-26(12-16-28)44(53,54)55;39-31(40,41)18-9-19(32(42,43)44)11-24(10-18)63(22-5-1-16(2-6-22)29-25(35(51,52)53)12-20(33(45,46)47)13-26(29)36(54,55)56)23-7-3-17(4-8-23)30-27(37(57,58)59)14-21(34(48,49)50)15-28(30)38(60,61)62;37-3-1-2(4-10(39)20(49)26(55)21(50)11(4)40)9(38)29(58)34(3)63(35-30(59)16(45)7(17(46)31(35)60)5-12(41)22(51)27(56)23(52)13(5)42)36-32(61)18(47)8(19(48)33(36)62)6-14(43)24(53)28(57)25(54)15(6)44/h1-24H;1-15H;1H
InChIKeySUQHQOKUZKDQEF-UHFFFAOYSA-N
XLogP44.87
TPSA17.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms184
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002686.53
LogP ≤ 544.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline with MolForge

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]aniline
CID 138467780
2,3,5,6-tetrafluoro-N-(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-(2,3,4,5,6-pentafluorophenyl)aniline
CID 90193979
9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole
CID 118920530
2,3,5,6-tetrafluoro-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)aniline
CID 90194010
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorophenyl]phenyl]carbazole
CID 102109316
4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 130353117
9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole
CID 174910528
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333
N,4-bis(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-phenylaniline
CID 159229959
9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine
CID 159533360
3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline
CID 88567791

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline?
The IUPAC name of 3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline (CID 160942126) is 3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline.
What is the SMILES notation for 3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline?
The canonical SMILES for 3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline is FC(F)(F)c1cc(N(c2ccc(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)cc2)c2ccc(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)cc2)cc(C(F)(F)F)c1.Fc1c(F)c(F)c(N(c2ccc(N(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(F)c1F.Fc1cc(-c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c1N(c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline?
The InChIKey is SUQHQOKUZKDQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F11N3.C38H15F24N.C36HF26N/c45-37-38(46)40(48)42(41(49)39(37)47)57(31-21-23-32(24-22-31)58-35-7-3-1-5-33(35)34-6-2-4-8-36(34)58)30-19-17-29(18-20-30)56(27-13-9-25(10-14-27)43(50,51)52)28-15-11-26(12-16-28)44(53,54)55;39-31(40,41)18-9-19(32(42,43)44)11-24(10-18)63(22-5-1-16(2-6-22)29-25(35(51,52)53)12-20(33(45,46)47)13-26(29)36(54,55)56)23-7-3-17(4-8-23)30-27(37(57,58)59)14-21(34(48,49)50)15-28(30)38(60,61)62;37-3-1-2(4-10(39)20(49)26(55)21(50)11(4)40)9(38)29(58)34(3)63(35-30(59)16(45)7(17(46)31(35)60)5-12(41)22(51)27(56)23(52)13(5)42)36-32(61)18(47)8(19(48)33(36)62)6-14(43)24(53)28(57)25(54)15(6)44/h1-24H;1-15H;1H.
What are the key properties of 3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline?
3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline has a molecular weight of 2686.53 g/mol, XLogP of 44.87, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline is sourced from PubChem (CID 160942126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).