4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline

C39H28F6N2 — CID 129147379

IUPAC4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline
SMILESFC(F)(F)C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C39H28F6N2/c40-38(41,42)37(39(43,44)45,29-21-25-35(26-22-29)46(31-13-5-1-6-14-31)32-15-7-2-8-16-32)30-23-27-36(28-24-30)47(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H
InChIKeyQKJJFPCVHKPJCL-UHFFFAOYSA-N
MW638.66 g/mol
LogP12.04
Rot. Bonds8

About 4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline

4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline (PubChem CID 129147379) has the molecular formula C39H28F6N2 and a molecular weight of 638.66 g/mol. Its IUPAC name is 4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline
PubChem CID129147379
Molecular FormulaC39H28F6N2
Molecular Weight638.66 g/mol
Exact Mass638.22
IUPAC Name4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline
SMILESFC(F)(F)C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C39H28F6N2/c40-38(41,42)37(39(43,44)45,29-21-25-35(26-22-29)46(31-13-5-1-6-14-31)32-15-7-2-8-16-32)30-23-27-36(28-24-30)47(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H
InChIKeyQKJJFPCVHKPJCL-UHFFFAOYSA-N
XLogP12.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.66
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline (CID 129147379) is 4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline is FC(F)(F)C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of 4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline?
The InChIKey is QKJJFPCVHKPJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28F6N2/c40-38(41,42)37(39(43,44)45,29-21-25-35(26-22-29)46(31-13-5-1-6-14-31)32-15-7-2-8-16-32)30-23-27-36(28-24-30)47(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H.
What are the key properties of 4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline?
4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline has a molecular weight of 638.66 g/mol, XLogP of 12.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 129147379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).