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

C26H20F3NO — CID 162617775

IUPAC3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1c(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C26H20F3NO/c1-18-23(20-12-14-22(15-13-20)26(27,28)29)16-24(21-10-6-3-7-11-21)30-25(18)31-17-19-8-4-2-5-9-19/h2-16H,17H2,1H3
InChIKeyBMJWSEVMAVYGMX-UHFFFAOYSA-N
MW419.45 g/mol
LogP7.32
Rot. Bonds5

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

3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 162617775) has the molecular formula C26H20F3NO and a molecular weight of 419.45 g/mol. Its IUPAC name is 3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID162617775
Molecular FormulaC26H20F3NO
Molecular Weight419.45 g/mol
Exact Mass419.15
IUPAC Name3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1c(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C26H20F3NO/c1-18-23(20-12-14-22(15-13-20)26(27,28)29)16-24(21-10-6-3-7-11-21)30-25(18)31-17-19-8-4-2-5-9-19/h2-16H,17H2,1H3
InChIKeyBMJWSEVMAVYGMX-UHFFFAOYSA-N
XLogP7.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.45
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine
CID 141482511
[2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 165437540
3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine
CID 141482512
2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58901931
1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole
CID 58510139
6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine
CID 146251873
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 68823026
[2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172650045
2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 68823165
4-methyl-2-(2-phenylmethoxyethoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 66901592
2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 172993950

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine (CID 162617775) is 3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine is Cc1c(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of 3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is BMJWSEVMAVYGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3NO/c1-18-23(20-12-14-22(15-13-20)26(27,28)29)16-24(21-10-6-3-7-11-21)30-25(18)31-17-19-8-4-2-5-9-19/h2-16H,17H2,1H3.
What are the key properties of 3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine?
3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 419.45 g/mol, XLogP of 7.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 162617775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).