4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine

C24H23N — CID 166564130

IUPAC4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine
SMILES[2H]C1(c2ccc(-c3ccnc(-c4ccccc4)c3)cc2)CC2CC(C2)C1
InChIInChI=1S/C24H23N/c1-2-4-21(5-3-1)24-16-22(10-11-25-24)19-6-8-20(9-7-19)23-14-17-12-18(13-17)15-23/h1-11,16-18,23H,12-15H2/i23D
InChIKeyNTUMDERYRZGJPO-WBQFYUNPSA-N
MW326.46 g/mol
LogP6.32
Rot. Bonds3

About 4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine

4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine (PubChem CID 166564130) has the molecular formula C24H23N and a molecular weight of 326.46 g/mol. Its IUPAC name is 4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine.

Molecular Properties

Compound Name4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine
PubChem CID166564130
Molecular FormulaC24H23N
Molecular Weight326.46 g/mol
Exact Mass326.19
IUPAC Name4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine
SMILES[2H]C1(c2ccc(-c3ccnc(-c4ccccc4)c3)cc2)CC2CC(C2)C1
InChIInChI=1S/C24H23N/c1-2-4-21(5-3-1)24-16-22(10-11-25-24)19-6-8-20(9-7-19)23-14-17-12-18(13-17)15-23/h1-11,16-18,23H,12-15H2/i23D
InChIKeyNTUMDERYRZGJPO-WBQFYUNPSA-N
XLogP6.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.46
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)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

Related Compounds

4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine
CID 166503402
4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-naphtho[2,1-b][1]benzofuran-8-ylpyridine
CID 166043947
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
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
4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine
CID 140831627
4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine
CID 129074799
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611
2-(4-phenylphenyl)-4-(4-propan-2-ylphenyl)pyridine
CID 140599873
4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine
CID 159088701
4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine
CID 169300864
4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine
CID 140825856

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine?
The IUPAC name of 4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine (CID 166564130) is 4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine.
What is the SMILES notation for 4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine?
The canonical SMILES for 4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine is [2H]C1(c2ccc(-c3ccnc(-c4ccccc4)c3)cc2)CC2CC(C2)C1.
What is the InChIKey of 4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine?
The InChIKey is NTUMDERYRZGJPO-WBQFYUNPSA-N. The full InChI is InChI=1S/C24H23N/c1-2-4-21(5-3-1)24-16-22(10-11-25-24)19-6-8-20(9-7-19)23-14-17-12-18(13-17)15-23/h1-11,16-18,23H,12-15H2/i23D.
What are the key properties of 4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine?
4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine has a molecular weight of 326.46 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine is sourced from PubChem (CID 166564130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).