4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine

C25H25N — CID 129074799

IUPAC4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine
SMILESc1ccc(-c2cc(-c3cccc(C4CC5CCC4CC5)c3)ccn2)cc1
InChIInChI=1S/C25H25N/c1-2-5-20(6-3-1)25-17-22(13-14-26-25)21-7-4-8-23(16-21)24-15-18-9-11-19(24)12-10-18/h1-8,13-14,16-19,24H,9-12,15H2
InChIKeyXKUCLXLXWZHVRZ-UHFFFAOYSA-N
MW339.48 g/mol
LogP6.71
Rot. Bonds3

About 4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine

4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine (PubChem CID 129074799) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine.

Molecular Properties

Compound Name4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine
PubChem CID129074799
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Name4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine
SMILESc1ccc(-c2cc(-c3cccc(C4CC5CCC4CC5)c3)ccn2)cc1
InChIInChI=1S/C25H25N/c1-2-5-20(6-3-1)25-17-22(13-14-26-25)21-7-4-8-23(16-21)24-15-18-9-11-19(24)12-10-18/h1-8,13-14,16-19,24H,9-12,15H2
InChIKeyXKUCLXLXWZHVRZ-UHFFFAOYSA-N
XLogP6.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine
CID 166503402
4-(3-cyclohexylphenyl)-2-phenylpyridine
CID 129074802
4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine
CID 166564130
4-(2-bicyclo[2.2.1]heptanyl)-2-(4-tert-butylphenyl)pyridine
CID 140722904
4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine
CID 159088701
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168805906
5-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140777923
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611
4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine
CID 169300864

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine?
The IUPAC name of 4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine (CID 129074799) is 4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine.
What is the SMILES notation for 4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine?
The canonical SMILES for 4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine is c1ccc(-c2cc(-c3cccc(C4CC5CCC4CC5)c3)ccn2)cc1.
What is the InChIKey of 4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine?
The InChIKey is XKUCLXLXWZHVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N/c1-2-5-20(6-3-1)25-17-22(13-14-26-25)21-7-4-8-23(16-21)24-15-18-9-11-19(24)12-10-18/h1-8,13-14,16-19,24H,9-12,15H2.
What are the key properties of 4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine?
4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine has a molecular weight of 339.48 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine is sourced from PubChem (CID 129074799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).