3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine

C22H20FN — CID 19867626

IUPAC3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine
SMILESC=Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1C(C)C
InChIInChI=1S/C22H20FN/c1-4-19-20(16-10-12-18(23)13-11-16)14-21(24-22(19)15(2)3)17-8-6-5-7-9-17/h4-15H,1H2,2-3H3
InChIKeyOBUHQXMIXDEWLS-UHFFFAOYSA-N
MW317.41 g/mol
LogP6.32
Rot. Bonds4

About 3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine

3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine (PubChem CID 19867626) has the molecular formula C22H20FN and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Name3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine
PubChem CID19867626
Molecular FormulaC22H20FN
Molecular Weight317.41 g/mol
Exact Mass317.16
IUPAC Name3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine
SMILESC=Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1C(C)C
InChIInChI=1S/C22H20FN/c1-4-19-20(16-10-12-18(23)13-11-16)14-21(24-22(19)15(2)3)17-8-6-5-7-9-17/h4-15H,1H2,2-3H3
InChIKeyOBUHQXMIXDEWLS-UHFFFAOYSA-N
XLogP6.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine
CID 142622578
(3S)-4-[2-[4-(4-fluorophenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl-hydroxyphosphoryl]-3-hydroxybutanoic acid
CID 67735760
5-fluoro-6-[(E)-2-[4-(4-fluorophenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
CID 70364160
3-(2,2-dibromoethenyl)-4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine
CID 15099568
2-(4-fluorophenyl)-6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyridine
CID 171438718
2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde
CID 21471454
3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine
CID 15099566
(3R,5S)-7-[4-(4-fluorophenyl)-6-(2-methylphenyl)-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid
CID 57112188
(4R,6S)-6-[(E)-2-[2-[(2S)-butan-2-yl]-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
CID 67751046
5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
CID 21471309
[3-carboxy-2-[4-(4-fluorophenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]-2-hydroxypentan-3-yl]-methoxy-oxophosphanium
CID 67714924
(3R,5S)-7-[4-(4-fluoro-3-methylphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid
CID 57056613

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine?
The IUPAC name of 3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine (CID 19867626) is 3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine.
What is the SMILES notation for 3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine?
The canonical SMILES for 3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine is C=Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1C(C)C.
What is the InChIKey of 3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine?
The InChIKey is OBUHQXMIXDEWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN/c1-4-19-20(16-10-12-18(23)13-11-16)14-21(24-22(19)15(2)3)17-8-6-5-7-9-17/h4-15H,1H2,2-3H3.
What are the key properties of 3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine?
3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine has a molecular weight of 317.41 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine is sourced from PubChem (CID 19867626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).