4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine

C25H26FN — CID 142622578

IUPAC4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine
SMILESCC(C)/C=C/c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1C(C)C
InChIInChI=1S/C25H26FN/c1-17(2)10-15-22-23(19-11-13-21(26)14-12-19)16-24(27-25(22)18(3)4)20-8-6-5-7-9-20/h5-18H,1-4H3/b15-10+
InChIKeyJFRMGAGPMVBOFK-XNTDXEJSSA-N
MW359.49 g/mol
LogP7.35
Rot. Bonds5

About 4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine

4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine (PubChem CID 142622578) has the molecular formula C25H26FN and a molecular weight of 359.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine
PubChem CID142622578
Molecular FormulaC25H26FN
Molecular Weight359.49 g/mol
Exact Mass359.20
IUPAC Name4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine
SMILESCC(C)/C=C/c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1C(C)C
InChIInChI=1S/C25H26FN/c1-17(2)10-15-22-23(19-11-13-21(26)14-12-19)16-24(27-25(22)18(3)4)20-8-6-5-7-9-20/h5-18H,1-4H3/b15-10+
InChIKeyJFRMGAGPMVBOFK-XNTDXEJSSA-N
XLogP7.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine?
The IUPAC name of 4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine (CID 142622578) is 4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine?
The canonical SMILES for 4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine is CC(C)/C=C/c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1C(C)C.
What is the InChIKey of 4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine?
The InChIKey is JFRMGAGPMVBOFK-XNTDXEJSSA-N. The full InChI is InChI=1S/C25H26FN/c1-17(2)10-15-22-23(19-11-13-21(26)14-12-19)16-24(27-25(22)18(3)4)20-8-6-5-7-9-20/h5-18H,1-4H3/b15-10+.
What are the key properties of 4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine?
4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine has a molecular weight of 359.49 g/mol, XLogP of 7.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine is sourced from PubChem (CID 142622578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).