4-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline

C33H27F3N2O2 — CID 18963520

IUPAC4-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline
SMILESCOc1ccc(Nc2ccc(-c3ccc(Nc4ccc(OC)cc4)cc3-c3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C33H27F3N2O2/c1-39-29-15-10-26(11-16-29)37-25-8-6-22(7-9-25)31-19-14-28(38-27-12-17-30(40-2)18-13-27)21-32(31)23-4-3-5-24(20-23)33(34,35)36/h3-21,37-38H,1-2H3
InChIKeyQCSPAXXFYUXJIA-UHFFFAOYSA-N
MW540.59 g/mol
LogP9.54
Rot. Bonds8

About 4-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline

4-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline (PubChem CID 18963520) has the molecular formula C33H27F3N2O2 and a molecular weight of 540.59 g/mol. Its IUPAC name is 4-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name4-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline
PubChem CID18963520
Molecular FormulaC33H27F3N2O2
Molecular Weight540.59 g/mol
Exact Mass540.20
IUPAC Name4-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline
SMILESCOc1ccc(Nc2ccc(-c3ccc(Nc4ccc(OC)cc4)cc3-c3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C33H27F3N2O2/c1-39-29-15-10-26(11-16-29)37-25-8-6-22(7-9-25)31-19-14-28(38-27-12-17-30(40-2)18-13-27)21-32(31)23-4-3-5-24(20-23)33(34,35)36/h3-21,37-38H,1-2H3
InChIKeyQCSPAXXFYUXJIA-UHFFFAOYSA-N
XLogP9.54
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.59
LogP ≤ 59.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline 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-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 4-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline (CID 18963520) is 4-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 4-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 4-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline is COc1ccc(Nc2ccc(-c3ccc(Nc4ccc(OC)cc4)cc3-c3cccc(C(F)(F)F)c3)cc2)cc1.
What is the InChIKey of 4-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline?
The InChIKey is QCSPAXXFYUXJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27F3N2O2/c1-39-29-15-10-26(11-16-29)37-25-8-6-22(7-9-25)31-19-14-28(38-27-12-17-30(40-2)18-13-27)21-32(31)23-4-3-5-24(20-23)33(34,35)36/h3-21,37-38H,1-2H3.
What are the key properties of 4-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline?
4-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline has a molecular weight of 540.59 g/mol, XLogP of 9.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyanilino)phenyl]-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 18963520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).