4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine

C22H20F3N — CID 169300841

IUPAC4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine
SMILES[2H]c1cc(C([2H])([2H])C(C)(C)C(F)(F)F)cc([2H])c1-c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C22H20F3N/c1-21(2,22(23,24)25)15-16-8-10-17(11-9-16)19-12-13-26-20(14-19)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3/i10D,11D,15D2
InChIKeyDDMGUVDVGLXONL-XDRQOYKXSA-N
MW359.43 g/mol
LogP6.55
Rot. Bonds4

About 4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine

4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine (PubChem CID 169300841) has the molecular formula C22H20F3N and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine.

Molecular Properties

Compound Name4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine
PubChem CID169300841
Molecular FormulaC22H20F3N
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine
SMILES[2H]c1cc(C([2H])([2H])C(C)(C)C(F)(F)F)cc([2H])c1-c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C22H20F3N/c1-21(2,22(23,24)25)15-16-8-10-17(11-9-16)19-12-13-26-20(14-19)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3/i10D,11D,15D2
InChIKeyDDMGUVDVGLXONL-XDRQOYKXSA-N
XLogP6.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine with MolForge

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Related Compounds

4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine
CID 169300864
[dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane
CID 169052705
4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine
CID 166564030
4-(3-ethylphenyl)-2-phenylpyridine
CID 140601349
4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 166172190
5-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole
CID 156665435
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
4-ethyl-2-phenylpyridine;fluoroform;iridium
CID 174671800
5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine
CID 154623465
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine
CID 140831627
4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 166503077

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine?
The IUPAC name of 4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine (CID 169300841) is 4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine.
What is the SMILES notation for 4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine?
The canonical SMILES for 4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine is [2H]c1cc(C([2H])([2H])C(C)(C)C(F)(F)F)cc([2H])c1-c1ccnc(-c2ccccc2)c1.
What is the InChIKey of 4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine?
The InChIKey is DDMGUVDVGLXONL-XDRQOYKXSA-N. The full InChI is InChI=1S/C22H20F3N/c1-21(2,22(23,24)25)15-16-8-10-17(11-9-16)19-12-13-26-20(14-19)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3/i10D,11D,15D2.
What are the key properties of 4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine?
4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine has a molecular weight of 359.43 g/mol, XLogP of 6.55, 4 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-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine is sourced from PubChem (CID 169300841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).