6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile

C25H25FN2O — CID 23501840

IUPAC6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H25FN2O/c1-25(2,18-27)14-6-7-15-29-24-17-21(19-8-4-3-5-9-19)16-23(28-24)20-10-12-22(26)13-11-20/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3
InChIKeyCNBNVBKNAWJZHZ-UHFFFAOYSA-N
MW388.49 g/mol
LogP6.65
Rot. Bonds8

About 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile

6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile (PubChem CID 23501840) has the molecular formula C25H25FN2O and a molecular weight of 388.49 g/mol. Its IUPAC name is 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile
PubChem CID23501840
Molecular FormulaC25H25FN2O
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Name6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H25FN2O/c1-25(2,18-27)14-6-7-15-29-24-17-21(19-8-4-3-5-9-19)16-23(28-24)20-10-12-22(26)13-11-20/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3
InChIKeyCNBNVBKNAWJZHZ-UHFFFAOYSA-N
XLogP6.65
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile (CID 23501840) is 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile is CC(C)(C#N)CCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile?
The InChIKey is CNBNVBKNAWJZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O/c1-25(2,18-27)14-6-7-15-29-24-17-21(19-8-4-3-5-9-19)16-23(28-24)20-10-12-22(26)13-11-20/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3.
What are the key properties of 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile?
6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile has a molecular weight of 388.49 g/mol, XLogP of 6.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 23501840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).