2,4-bis(4-methoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine

C27H22F3NO2 — CID 139186380

IUPAC2,4-bis(4-methoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
SMILESCOc1ccc(-c2cc(Cc3ccc(C(F)(F)F)cc3)nc(-c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C27H22F3NO2/c1-32-24-11-5-19(6-12-24)21-16-23(15-18-3-9-22(10-4-18)27(28,29)30)31-26(17-21)20-7-13-25(33-2)14-8-20/h3-14,16-17H,15H2,1-2H3
InChIKeyGHIWFRUHCKKUAF-UHFFFAOYSA-N
MW449.47 g/mol
LogP7.04
Rot. Bonds6

About 2,4-bis(4-methoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine

2,4-bis(4-methoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine (PubChem CID 139186380) has the molecular formula C27H22F3NO2 and a molecular weight of 449.47 g/mol. Its IUPAC name is 2,4-bis(4-methoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name2,4-bis(4-methoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
PubChem CID139186380
Molecular FormulaC27H22F3NO2
Molecular Weight449.47 g/mol
Exact Mass449.16
IUPAC Name2,4-bis(4-methoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
SMILESCOc1ccc(-c2cc(Cc3ccc(C(F)(F)F)cc3)nc(-c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C27H22F3NO2/c1-32-24-11-5-19(6-12-24)21-16-23(15-18-3-9-22(10-4-18)27(28,29)30)31-26(17-21)20-7-13-25(33-2)14-8-20/h3-14,16-17H,15H2,1-2H3
InChIKeyGHIWFRUHCKKUAF-UHFFFAOYSA-N
XLogP7.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.47
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Moxaverine
CID 70882
2-Methoxy-4,6-diphenylpyridine-3-carbonitrile
CID 678565
2-(4-Methoxy-phenyl)-3-phenyl-quinoxaline
CID 687304
2-(4-Methoxyphenyl)quinoline
CID 1481967
2,3-Di(4-methoxyphenyl)quinoxaline
CID 81660
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
4-(4-Fluorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 789665
Quinoxaline, 2,3-bis(4-methoxyphenyl)-6-methyl-
CID 215802
2-(4-Methoxyphenyl)-4,6-diphenylpyridine
CID 1719430
4-(3-Methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine
CID 71460891
4-(4,6-Diphenyl-2-pyridinyl)phenol
CID 135838975
3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline
CID 1119276

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine?
The IUPAC name of 2,4-bis(4-methoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine (CID 139186380) is 2,4-bis(4-methoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 2,4-bis(4-methoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine?
The canonical SMILES for 2,4-bis(4-methoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine is COc1ccc(-c2cc(Cc3ccc(C(F)(F)F)cc3)nc(-c3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 2,4-bis(4-methoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine?
The InChIKey is GHIWFRUHCKKUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3NO2/c1-32-24-11-5-19(6-12-24)21-16-23(15-18-3-9-22(10-4-18)27(28,29)30)31-26(17-21)20-7-13-25(33-2)14-8-20/h3-14,16-17H,15H2,1-2H3.
What are the key properties of 2,4-bis(4-methoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine?
2,4-bis(4-methoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine has a molecular weight of 449.47 g/mol, XLogP of 7.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 139186380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).