3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine

C40H33F3N2O — CID 86341899

IUPAC3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCOc1ccc(-c2c(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)nc(-c3ccccn3)c2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C40H33F3N2O/c1-39(2,3)30-19-13-28(14-20-30)36-34(27-17-23-32(46-4)24-18-27)35(26-10-6-5-7-11-26)37(45-38(36)33-12-8-9-25-44-33)29-15-21-31(22-16-29)40(41,42)43/h5-25H,1-4H3
InChIKeyXIQOLBCCYRYEJJ-UHFFFAOYSA-N
MW614.71 g/mol
LogP11.14
Rot. Bonds6

About 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine

3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 86341899) has the molecular formula C40H33F3N2O and a molecular weight of 614.71 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID86341899
Molecular FormulaC40H33F3N2O
Molecular Weight614.71 g/mol
Exact Mass614.25
IUPAC Name3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCOc1ccc(-c2c(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)nc(-c3ccccn3)c2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C40H33F3N2O/c1-39(2,3)30-19-13-28(14-20-30)36-34(27-17-23-32(46-4)24-18-27)35(26-10-6-5-7-11-26)37(45-38(36)33-12-8-9-25-44-33)29-15-21-31(22-16-29)40(41,42)43/h5-25H,1-4H3
InChIKeyXIQOLBCCYRYEJJ-UHFFFAOYSA-N
XLogP11.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-Methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine
CID 155544904
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
3-(6-Methoxynaphth-2-ylmethylene)anabaseine
CID 15982063
3-(2,2-Dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine
CID 66829310
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine
CID 66829595
4'-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 630929
4-[1-(4''-Methoxybiphenyl-4-yl)propyl]pyridine
CID 46901440
3-[3-(4-Trifluoromethoxybenzyl)naphthalen-2-yl]pyridine
CID 25129120
2-[2-[2-[2-[4-[6-[4-[2-[2-(2-Pyridin-2-ylethynyl)phenyl]ethynyl]phenoxy]hexoxy]phenyl]ethynyl]phenyl]ethynyl]pyridine
CID 25198629
4-{2-(6-Benzyl-3-pyridyl)-2-[3,4-di(difluoromethoxy)phenyl]ethyl}-1-pyridiniumolate
CID 44300777
2-{[5-(3-Methoxyphenyl)pyridin-3-yl]ethynyl}-6-methylpyridine
CID 44392433
3-(4-Trifluoromethoxybenzylidene)anabaseine
CID 46702380

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine (CID 86341899) is 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine is COc1ccc(-c2c(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)nc(-c3ccccn3)c2-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is XIQOLBCCYRYEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33F3N2O/c1-39(2,3)30-19-13-28(14-20-30)36-34(27-17-23-32(46-4)24-18-27)35(26-10-6-5-7-11-26)37(45-38(36)33-12-8-9-25-44-33)29-15-21-31(22-16-29)40(41,42)43/h5-25H,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine?
3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 614.71 g/mol, XLogP of 11.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-phenyl-2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 86341899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).