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

C25H15F6N — CID 139203461

IUPAC2-[2,6-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine
SMILESFC(F)(F)c1ccccc1-c1cccc(-c2ccccc2C(F)(F)F)c1-c1ccccn1
InChIInChI=1S/C25H15F6N/c26-24(27,28)20-12-3-1-8-16(20)18-10-7-11-19(23(18)22-14-5-6-15-32-22)17-9-2-4-13-21(17)25(29,30)31/h1-15H
InChIKeyXBWPUIFTDNUSCU-UHFFFAOYSA-N
MW443.39 g/mol
LogP8.12
Rot. Bonds3

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

2-[2,6-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine (PubChem CID 139203461) has the molecular formula C25H15F6N and a molecular weight of 443.39 g/mol. Its IUPAC name is 2-[2,6-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[2,6-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine
PubChem CID139203461
Molecular FormulaC25H15F6N
Molecular Weight443.39 g/mol
Exact Mass443.11
IUPAC Name2-[2,6-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine
SMILESFC(F)(F)c1ccccc1-c1cccc(-c2ccccc2C(F)(F)F)c1-c1ccccn1
InChIInChI=1S/C25H15F6N/c26-24(27,28)20-12-3-1-8-16(20)18-10-7-11-19(23(18)22-14-5-6-15-32-22)17-9-2-4-13-21(17)25(29,30)31/h1-15H
InChIKeyXBWPUIFTDNUSCU-UHFFFAOYSA-N
XLogP8.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.39
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Phenylpyridine
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2-(Phenylmethyl)pyridine
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3-Benzhydrylpyridine
CID 77251
Phenanthridine
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3-Methylisoquinoline
CID 14306
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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine?
The IUPAC name of 2-[2,6-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine (CID 139203461) is 2-[2,6-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[2,6-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-[2,6-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine is FC(F)(F)c1ccccc1-c1cccc(-c2ccccc2C(F)(F)F)c1-c1ccccn1.
What is the InChIKey of 2-[2,6-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine?
The InChIKey is XBWPUIFTDNUSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F6N/c26-24(27,28)20-12-3-1-8-16(20)18-10-7-11-19(23(18)22-14-5-6-15-32-22)17-9-2-4-13-21(17)25(29,30)31/h1-15H.
What are the key properties of 2-[2,6-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine?
2-[2,6-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine has a molecular weight of 443.39 g/mol, XLogP of 8.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 139203461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).