4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline

C45H18F27N — CID 59711273

IUPAC4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline
SMILESFC(F)(F)c1cc(C(F)(F)F)c(-c2ccc(N(c3ccc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4C(F)(F)F)cc3)c3ccc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C45H18F27N/c46-37(47,48)22-13-28(40(55,56)57)34(29(14-22)41(58,59)60)19-1-7-25(8-2-19)73(26-9-3-20(4-10-26)35-30(42(61,62)63)15-23(38(49,50)51)16-31(35)43(64,65)66)27-11-5-21(6-12-27)36-32(44(67,68)69)17-24(39(52,53)54)18-33(36)45(70,71)72/h1-18H
InChIKeyYYMNEPZRQXAKFX-UHFFFAOYSA-N
MW1085.59 g/mol
LogP19.33
Rot. Bonds6

About 4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline

4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline (PubChem CID 59711273) has the molecular formula C45H18F27N and a molecular weight of 1085.59 g/mol. Its IUPAC name is 4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline
PubChem CID59711273
Molecular FormulaC45H18F27N
Molecular Weight1085.59 g/mol
Exact Mass1085.10
IUPAC Name4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline
SMILESFC(F)(F)c1cc(C(F)(F)F)c(-c2ccc(N(c3ccc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4C(F)(F)F)cc3)c3ccc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C45H18F27N/c46-37(47,48)22-13-28(40(55,56)57)34(29(14-22)41(58,59)60)19-1-7-25(8-2-19)73(26-9-3-20(4-10-26)35-30(42(61,62)63)15-23(38(49,50)51)16-31(35)43(64,65)66)27-11-5-21(6-12-27)36-32(44(67,68)69)17-24(39(52,53)54)18-33(36)45(70,71)72/h1-18H
InChIKeyYYMNEPZRQXAKFX-UHFFFAOYSA-N
XLogP19.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001085.59
LogP ≤ 519.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene
CID 119000485
4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline
CID 59858823
carboxy-[2-phenyl-3,5-bis(trifluoromethyl)phenyl]carbamic acid
CID 170561578
1-N,1-N,3-N,3-N,5-N,5-N-hexakis[3,5-bis(trifluoromethyl)phenyl]benzene-1,3,5-triamine
CID 58868333
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
1,3,6,8,10,11-hexakis(trifluoromethyl)triphenylene
CID 90327361
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline
CID 132551108
5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene
CID 176828118
N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 163737553
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 162147514

Frequently Asked Questions

What is the IUPAC name of 4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline?
The IUPAC name of 4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline (CID 59711273) is 4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline.
What is the SMILES notation for 4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline?
The canonical SMILES for 4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline is FC(F)(F)c1cc(C(F)(F)F)c(-c2ccc(N(c3ccc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4C(F)(F)F)cc3)c3ccc(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline?
The InChIKey is YYMNEPZRQXAKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H18F27N/c46-37(47,48)22-13-28(40(55,56)57)34(29(14-22)41(58,59)60)19-1-7-25(8-2-19)73(26-9-3-20(4-10-26)35-30(42(61,62)63)15-23(38(49,50)51)16-31(35)43(64,65)66)27-11-5-21(6-12-27)36-32(44(67,68)69)17-24(39(52,53)54)18-33(36)45(70,71)72/h1-18H.
What are the key properties of 4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline?
4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline has a molecular weight of 1085.59 g/mol, XLogP of 19.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline is sourced from PubChem (CID 59711273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).