2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]aniline

C42H34F6N2O4 — CID 139991940

IUPAC2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]aniline
SMILESCOc1ccc(N(c2cccc(C(F)(F)F)c2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4cccc(C(F)(F)F)c4)c(OC)c3)cc2OC)cc1
InChIInChI=1S/C42H34F6N2O4/c1-51-35-17-13-31(14-18-35)49(33-9-5-7-29(25-33)41(43,44)45)37-21-11-27(23-39(37)53-3)28-12-22-38(40(24-28)54-4)50(32-15-19-36(52-2)20-16-32)34-10-6-8-30(26-34)42(46,47)48/h5-26H,1-4H3
InChIKeyLIPRZZJOEQWRLC-UHFFFAOYSA-N
MW744.73 g/mol
LogP12.37
Rot. Bonds11

About 2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]aniline

2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]aniline (PubChem CID 139991940) has the molecular formula C42H34F6N2O4 and a molecular weight of 744.73 g/mol. Its IUPAC name is 2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]aniline
PubChem CID139991940
Molecular FormulaC42H34F6N2O4
Molecular Weight744.73 g/mol
Exact Mass744.24
IUPAC Name2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]aniline
SMILESCOc1ccc(N(c2cccc(C(F)(F)F)c2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4cccc(C(F)(F)F)c4)c(OC)c3)cc2OC)cc1
InChIInChI=1S/C42H34F6N2O4/c1-51-35-17-13-31(14-18-35)49(33-9-5-7-29(25-33)41(43,44)45)37-21-11-27(23-39(37)53-3)28-12-22-38(40(24-28)54-4)50(32-15-19-36(52-2)20-16-32)34-10-6-8-30(26-34)42(46,47)48/h5-26H,1-4H3
InChIKeyLIPRZZJOEQWRLC-UHFFFAOYSA-N
XLogP12.37
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.73
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[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 2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]aniline (CID 139991940) is 2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]aniline is COc1ccc(N(c2cccc(C(F)(F)F)c2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4cccc(C(F)(F)F)c4)c(OC)c3)cc2OC)cc1.
What is the InChIKey of 2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]aniline?
The InChIKey is LIPRZZJOEQWRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34F6N2O4/c1-51-35-17-13-31(14-18-35)49(33-9-5-7-29(25-33)41(43,44)45)37-21-11-27(23-39(37)53-3)28-12-22-38(40(24-28)54-4)50(32-15-19-36(52-2)20-16-32)34-10-6-8-30(26-34)42(46,47)48/h5-26H,1-4H3.
What are the key properties of 2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]aniline?
2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]aniline has a molecular weight of 744.73 g/mol, XLogP of 12.37, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[3-methoxy-4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]-N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 139991940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).