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

C40H33F3N2O — CID 86341883

IUPAC2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine
SMILESCOc1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)nc(-c3ccccn3)c(-c3ccc(C(F)(F)F)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C40H33F3N2O/c1-39(2,3)30-19-15-29(16-20-30)37-35(28-17-23-32(46-4)24-18-28)34(26-10-6-5-7-11-26)36(38(45-37)33-12-8-9-25-44-33)27-13-21-31(22-14-27)40(41,42)43/h5-25H,1-4H3
InChIKeyQXORMLLSDGMTQN-UHFFFAOYSA-N
MW614.71 g/mol
LogP11.14
Rot. Bonds6

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

2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 86341883) has the molecular formula C40H33F3N2O and a molecular weight of 614.71 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID86341883
Molecular FormulaC40H33F3N2O
Molecular Weight614.71 g/mol
Exact Mass614.25
IUPAC Name2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine
SMILESCOc1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)nc(-c3ccccn3)c(-c3ccc(C(F)(F)F)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C40H33F3N2O/c1-39(2,3)30-19-15-29(16-20-30)37-35(28-17-23-32(46-4)24-18-28)34(26-10-6-5-7-11-26)36(38(45-37)33-12-8-9-25-44-33)27-13-21-31(22-14-27)40(41,42)43/h5-25H,1-4H3
InChIKeyQXORMLLSDGMTQN-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

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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 2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine (CID 86341883) is 2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine is COc1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)nc(-c3ccccn3)c(-c3ccc(C(F)(F)F)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is QXORMLLSDGMTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33F3N2O/c1-39(2,3)30-19-15-29(16-20-30)37-35(28-17-23-32(46-4)24-18-28)34(26-10-6-5-7-11-26)36(38(45-37)33-12-8-9-25-44-33)27-13-21-31(22-14-27)40(41,42)43/h5-25H,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine?
2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-2-yl-5-[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 2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 86341883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).