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

C39H18F18N4 — CID 132551108

IUPAC4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline
SMILESFC(F)(F)c1cc(-c2ccc(N(c3ccc(-c4cc(C(F)(F)F)nc(C(F)(F)F)c4)cc3)c3ccc(-c4cc(C(F)(F)F)nc(C(F)(F)F)c4)cc3)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C39H18F18N4/c40-34(41,42)28-13-22(14-29(58-28)35(43,44)45)19-1-7-25(8-2-19)61(26-9-3-20(4-10-26)23-15-30(36(46,47)48)59-31(16-23)37(49,50)51)27-11-5-21(6-12-27)24-17-32(38(52,53)54)60-33(18-24)39(55,56)57/h1-18H
InChIKeyNBFBRZRDIREXGZ-UHFFFAOYSA-N
MW884.56 g/mol
LogP14.46
Rot. Bonds6

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

4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline (PubChem CID 132551108) has the molecular formula C39H18F18N4 and a molecular weight of 884.56 g/mol. Its IUPAC name is 4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline.

Molecular Properties

Compound Name4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline
PubChem CID132551108
Molecular FormulaC39H18F18N4
Molecular Weight884.56 g/mol
Exact Mass884.12
IUPAC Name4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline
SMILESFC(F)(F)c1cc(-c2ccc(N(c3ccc(-c4cc(C(F)(F)F)nc(C(F)(F)F)c4)cc3)c3ccc(-c4cc(C(F)(F)F)nc(C(F)(F)F)c4)cc3)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C39H18F18N4/c40-34(41,42)28-13-22(14-29(58-28)35(43,44)45)19-1-7-25(8-2-19)61(26-9-3-20(4-10-26)23-15-30(36(46,47)48)59-31(16-23)37(49,50)51)27-11-5-21(6-12-27)24-17-32(38(52,53)54)60-33(18-24)39(55,56)57/h1-18H
InChIKeyNBFBRZRDIREXGZ-UHFFFAOYSA-N
XLogP14.46
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.56
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline with MolForge

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Related Compounds

4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine
CID 132551111
4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
CID 102408426
6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119008310
N-[2,4-bis(trifluoromethyl)quinolin-7-yl]-N-(4-iodophenyl)-2,4-bis(trifluoromethyl)quinolin-7-amine
CID 132538511
2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 134620511
N,N-dimethyl-4-[4-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)pyrimidin-2-yl]aniline
CID 15526289
N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 163737553
2,4,6-tris(trifluoromethyl)pyridine
CID 14937918
4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline
CID 59711273
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 58028667
N,N-diphenyl-4-[3-phenyl-5-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 121368277
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]-3-(trifluoromethyl)aniline
CID 15218997

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline?
The IUPAC name of 4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline (CID 132551108) is 4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline.
What is the SMILES notation for 4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline?
The canonical SMILES for 4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline is FC(F)(F)c1cc(-c2ccc(N(c3ccc(-c4cc(C(F)(F)F)nc(C(F)(F)F)c4)cc3)c3ccc(-c4cc(C(F)(F)F)nc(C(F)(F)F)c4)cc3)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline?
The InChIKey is NBFBRZRDIREXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H18F18N4/c40-34(41,42)28-13-22(14-29(58-28)35(43,44)45)19-1-7-25(8-2-19)61(26-9-3-20(4-10-26)23-15-30(36(46,47)48)59-31(16-23)37(49,50)51)27-11-5-21(6-12-27)24-17-32(38(52,53)54)60-33(18-24)39(55,56)57/h1-18H.
What are the key properties of 4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline?
4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline has a molecular weight of 884.56 g/mol, XLogP of 14.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline is sourced from PubChem (CID 132551108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).