3-(4-methoxyphenyl)-6-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyridine

C26H20F3NO — CID 134944926

IUPAC3-(4-methoxyphenyl)-6-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyridine
SMILESCOc1ccc(-c2c(-c3ccccc3)cc(C)nc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H20F3NO/c1-17-16-23(18-6-4-3-5-7-18)24(19-10-14-22(31-2)15-11-19)25(30-17)20-8-12-21(13-9-20)26(27,28)29/h3-16H,1-2H3
InChIKeyLLSDIUZBCRNCCM-UHFFFAOYSA-N
MW419.45 g/mol
LogP7.42
Rot. Bonds4

About 3-(4-methoxyphenyl)-6-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyridine

3-(4-methoxyphenyl)-6-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 134944926) has the molecular formula C26H20F3NO and a molecular weight of 419.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID134944926
Molecular FormulaC26H20F3NO
Molecular Weight419.45 g/mol
Exact Mass419.15
IUPAC Name3-(4-methoxyphenyl)-6-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyridine
SMILESCOc1ccc(-c2c(-c3ccccc3)cc(C)nc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H20F3NO/c1-17-16-23(18-6-4-3-5-7-18)24(19-10-14-22(31-2)15-11-19)25(30-17)20-8-12-21(13-9-20)26(27,28)29/h3-16H,1-2H3
InChIKeyLLSDIUZBCRNCCM-UHFFFAOYSA-N
XLogP7.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.45
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-(4-methoxyphenyl)-6-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyridine (CID 134944926) is 3-(4-methoxyphenyl)-6-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-6-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyridine is COc1ccc(-c2c(-c3ccccc3)cc(C)nc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is LLSDIUZBCRNCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3NO/c1-17-16-23(18-6-4-3-5-7-18)24(19-10-14-22(31-2)15-11-19)25(30-17)20-8-12-21(13-9-20)26(27,28)29/h3-16H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-6-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyridine?
3-(4-methoxyphenyl)-6-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 419.45 g/mol, XLogP of 7.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 134944926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).