3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine

C33H44FN — CID 91526476

IUPAC3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine
SMILESCCCCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCC)cc3)cc2)nc1F
InChIInChI=1S/C33H44FN/c1-3-5-7-9-10-11-12-14-16-31-25-26-32(35-33(31)34)30-23-21-29(22-24-30)28-19-17-27(18-20-28)15-13-8-6-4-2/h17-26H,3-16H2,1-2H3
InChIKeyXLYXRJPQRZTORX-UHFFFAOYSA-N
MW473.72 g/mol
LogP10.36
Rot. Bonds16

About 3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine

3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine (PubChem CID 91526476) has the molecular formula C33H44FN and a molecular weight of 473.72 g/mol. Its IUPAC name is 3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine
PubChem CID91526476
Molecular FormulaC33H44FN
Molecular Weight473.72 g/mol
Exact Mass473.35
IUPAC Name3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine
SMILESCCCCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCC)cc3)cc2)nc1F
InChIInChI=1S/C33H44FN/c1-3-5-7-9-10-11-12-14-16-31-25-26-32(35-33(31)34)30-23-21-29(22-24-30)28-19-17-27(18-20-28)15-13-8-6-4-2/h17-26H,3-16H2,1-2H3
InChIKeyXLYXRJPQRZTORX-UHFFFAOYSA-N
XLogP10.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.72
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-heptyl-6-[4-(4-heptylphenyl)phenyl]pyridine
CID 91063743
2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine
CID 18172843
[2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid
CID 18172823
2-fluoro-6-(4-heptylphenyl)pyridine
CID 18172851
2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
[6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid
CID 18172819
2,5-bis(4-octylphenyl)pyridine
CID 139839621
1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol
CID 135618705
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 22960039
6-decyl-2-fluoro-3-[4-(4-octylphenyl)phenyl]pyridine
CID 90821137

Frequently Asked Questions

What is the IUPAC name of 3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine?
The IUPAC name of 3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine (CID 91526476) is 3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine.
What is the SMILES notation for 3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine?
The canonical SMILES for 3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine is CCCCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCC)cc3)cc2)nc1F.
What is the InChIKey of 3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine?
The InChIKey is XLYXRJPQRZTORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44FN/c1-3-5-7-9-10-11-12-14-16-31-25-26-32(35-33(31)34)30-23-21-29(22-24-30)28-19-17-27(18-20-28)15-13-8-6-4-2/h17-26H,3-16H2,1-2H3.
What are the key properties of 3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine?
3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine has a molecular weight of 473.72 g/mol, XLogP of 10.36, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine is sourced from PubChem (CID 91526476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).