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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).