2-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine

C23H22F3NO — CID 46178049

IUPAC2-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine
SMILESCOc1c(C(C)(C)C)nc(C(F)(F)F)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H22F3NO/c1-22(2,3)21-19(28-4)17(15-11-7-5-8-12-15)18(16-13-9-6-10-14-16)20(27-21)23(24,25)26/h5-14H,1-4H3
InChIKeyNLOMSGIWYHBKPL-UHFFFAOYSA-N
MW385.43 g/mol
LogP6.74
Rot. Bonds3

About 2-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine

2-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine (PubChem CID 46178049) has the molecular formula C23H22F3NO and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine
PubChem CID46178049
Molecular FormulaC23H22F3NO
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name2-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine
SMILESCOc1c(C(C)(C)C)nc(C(F)(F)F)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H22F3NO/c1-22(2,3)21-19(28-4)17(15-11-7-5-8-12-15)18(16-13-9-6-10-14-16)20(27-21)23(24,25)26/h5-14H,1-4H3
InChIKeyNLOMSGIWYHBKPL-UHFFFAOYSA-N
XLogP6.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine 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-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine (CID 46178049) is 2-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine is COc1c(C(C)(C)C)nc(C(F)(F)F)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine?
The InChIKey is NLOMSGIWYHBKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3NO/c1-22(2,3)21-19(28-4)17(15-11-7-5-8-12-15)18(16-13-9-6-10-14-16)20(27-21)23(24,25)26/h5-14H,1-4H3.
What are the key properties of 2-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine?
2-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine has a molecular weight of 385.43 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methoxy-4,5-diphenyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 46178049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).