4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine

C21H21N — CID 166564030

IUPAC4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine
SMILES[2H]C([2H])(c1ccc(-c2ccnc(-c3ccccc3)c2)cc1)C(C)C
InChIInChI=1S/C21H21N/c1-16(2)14-17-8-10-18(11-9-17)20-12-13-22-21(15-20)19-6-4-3-5-7-19/h3-13,15-16H,14H2,1-2H3/i14D2
InChIKeyPSGYGODHLXIVEM-FNHLFAINSA-N
MW289.42 g/mol
LogP5.61
Rot. Bonds4

About 4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine

4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine (PubChem CID 166564030) has the molecular formula C21H21N and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine.

Molecular Properties

Compound Name4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine
PubChem CID166564030
Molecular FormulaC21H21N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine
SMILES[2H]C([2H])(c1ccc(-c2ccnc(-c3ccccc3)c2)cc1)C(C)C
InChIInChI=1S/C21H21N/c1-16(2)14-17-8-10-18(11-9-17)20-12-13-22-21(15-20)19-6-4-3-5-7-19/h3-13,15-16H,14H2,1-2H3/i14D2
InChIKeyPSGYGODHLXIVEM-FNHLFAINSA-N
XLogP5.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine
CID 140831627
2-(4-phenylphenyl)-4-(4-propan-2-ylphenyl)pyridine
CID 140599873
4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine
CID 164792178
4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine
CID 162709897
4-(3-ethylphenyl)-2-phenylpyridine
CID 140601349
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine
CID 162710584
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-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]phenyl]pyridine
CID 159742768
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine?
The IUPAC name of 4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine (CID 166564030) is 4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine.
What is the SMILES notation for 4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine?
The canonical SMILES for 4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine is [2H]C([2H])(c1ccc(-c2ccnc(-c3ccccc3)c2)cc1)C(C)C.
What is the InChIKey of 4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine?
The InChIKey is PSGYGODHLXIVEM-FNHLFAINSA-N. The full InChI is InChI=1S/C21H21N/c1-16(2)14-17-8-10-18(11-9-17)20-12-13-22-21(15-20)19-6-4-3-5-7-19/h3-13,15-16H,14H2,1-2H3/i14D2.
What are the key properties of 4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine?
4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine has a molecular weight of 289.42 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine is sourced from PubChem (CID 166564030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).