4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine

C25H27N — CID 169300864

IUPAC4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine
SMILES[2H]c1cc(C2([2H])CCC(C)(C)CC2)cc([2H])c1-c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C25H27N/c1-25(2)15-12-21(13-16-25)19-8-10-20(11-9-19)23-14-17-26-24(18-23)22-6-4-3-5-7-22/h3-11,14,17-18,21H,12-13,15-16H2,1-2H3/i10D,11D,21D
InChIKeyIPFZACRZCGAFHV-HSOHVXBESA-N
MW344.52 g/mol
LogP7.10
Rot. Bonds3

About 4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine

4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine (PubChem CID 169300864) has the molecular formula C25H27N and a molecular weight of 344.52 g/mol. Its IUPAC name is 4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine.

Molecular Properties

Compound Name4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine
PubChem CID169300864
Molecular FormulaC25H27N
Molecular Weight344.52 g/mol
Exact Mass344.23
IUPAC Name4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine
SMILES[2H]c1cc(C2([2H])CCC(C)(C)CC2)cc([2H])c1-c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C25H27N/c1-25(2)15-12-21(13-16-25)19-8-10-20(11-9-19)23-14-17-26-24(18-23)22-6-4-3-5-7-22/h3-11,14,17-18,21H,12-13,15-16H2,1-2H3/i10D,11D,21D
InChIKeyIPFZACRZCGAFHV-HSOHVXBESA-N
XLogP7.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.52
LogP ≤ 57.10
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-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine
CID 169300841
5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine
CID 154623465
4-(3-cyclohexylphenyl)-2-phenylpyridine
CID 129074802
4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine
CID 166503402
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine
CID 140825856
4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine
CID 140825834
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
CID 174098007
CID 174098007
4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine
CID 129074799
4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine
CID 140831627

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine?
The IUPAC name of 4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine (CID 169300864) is 4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine.
What is the SMILES notation for 4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine?
The canonical SMILES for 4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine is [2H]c1cc(C2([2H])CCC(C)(C)CC2)cc([2H])c1-c1ccnc(-c2ccccc2)c1.
What is the InChIKey of 4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine?
The InChIKey is IPFZACRZCGAFHV-HSOHVXBESA-N. The full InChI is InChI=1S/C25H27N/c1-25(2)15-12-21(13-16-25)19-8-10-20(11-9-19)23-14-17-26-24(18-23)22-6-4-3-5-7-22/h3-11,14,17-18,21H,12-13,15-16H2,1-2H3/i10D,11D,21D.
What are the key properties of 4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine?
4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine has a molecular weight of 344.52 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine is sourced from PubChem (CID 169300864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).