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

C25H25N — CID 166503402

IUPAC4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine
SMILES[2H]C1(c2ccc(-c3ccnc(-c4ccccc4)c3)cc2)CC2CCC1CC2
InChIInChI=1S/C25H25N/c1-2-4-22(5-3-1)25-17-23(14-15-26-25)19-10-12-21(13-11-19)24-16-18-6-8-20(24)9-7-18/h1-5,10-15,17-18,20,24H,6-9,16H2/i24D
InChIKeySXWAHGWMONBUDY-CORJAIEOSA-N
MW340.49 g/mol
LogP6.71
Rot. Bonds3

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

4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine (PubChem CID 166503402) has the molecular formula C25H25N and a molecular weight of 340.49 g/mol. Its IUPAC name is 4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine.

Molecular Properties

Compound Name4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine
PubChem CID166503402
Molecular FormulaC25H25N
Molecular Weight340.49 g/mol
Exact Mass340.20
IUPAC Name4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine
SMILES[2H]C1(c2ccc(-c3ccnc(-c4ccccc4)c3)cc2)CC2CCC1CC2
InChIInChI=1S/C25H25N/c1-2-4-22(5-3-1)25-17-23(14-15-26-25)19-10-12-21(13-11-19)24-16-18-6-8-20(24)9-7-18/h1-5,10-15,17-18,20,24H,6-9,16H2/i24D
InChIKeySXWAHGWMONBUDY-CORJAIEOSA-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 ≤ 500340.49
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine
CID 166564130
4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine
CID 129074799
4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine
CID 159088701
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine
CID 169300864
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
4-(3-cyclohexylphenyl)-2-phenylpyridine
CID 129074802
4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine
CID 140825856
4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine
CID 129075043
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
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine?
The IUPAC name of 4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine (CID 166503402) is 4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine.
What is the SMILES notation for 4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine?
The canonical SMILES for 4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine is [2H]C1(c2ccc(-c3ccnc(-c4ccccc4)c3)cc2)CC2CCC1CC2.
What is the InChIKey of 4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine?
The InChIKey is SXWAHGWMONBUDY-CORJAIEOSA-N. The full InChI is InChI=1S/C25H25N/c1-2-4-22(5-3-1)25-17-23(14-15-26-25)19-10-12-21(13-11-19)24-16-18-6-8-20(24)9-7-18/h1-5,10-15,17-18,20,24H,6-9,16H2/i24D.
What are the key properties of 4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine?
4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine has a molecular weight of 340.49 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-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine is sourced from PubChem (CID 166503402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).