6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile

C23H22N2O — CID 10337448

IUPAC6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile
SMILESN#CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H22N2O/c24-15-9-1-2-10-16-26-23-18-21(19-11-5-3-6-12-19)17-22(25-23)20-13-7-4-8-14-20/h3-8,11-14,17-18H,1-2,9-10,16H2
InChIKeyBVTSGHBSZIPCSF-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.88
Rot. Bonds8

About 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile

6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile (PubChem CID 10337448) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile.

Molecular Properties

Compound Name6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile
PubChem CID10337448
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile
SMILESN#CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H22N2O/c24-15-9-1-2-10-16-26-23-18-21(19-11-5-3-6-12-19)17-22(25-23)20-13-7-4-8-14-20/h3-8,11-14,17-18H,1-2,9-10,16H2
InChIKeyBVTSGHBSZIPCSF-UHFFFAOYSA-N
XLogP5.88
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

Quinisocaine
CID 6857
Dimethisoquin Hydrochloride
CID 9883104
2-Methoxy-4,6-diphenylpyridine-3-carbonitrile
CID 678565
2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine
CID 10452674
2-Methoxy-6-methylnicotinonitrile
CID 5323803
2-(3-Chloro-benzyloxy)-6-methyl-isonicotinonitrile
CID 15949470
4-[1-(4-Methoxyphenyl)ethenyl]quinoline-2-carbonitrile
CID 118443998
4-(Methoxymethyl)-6-methyl-2-phenoxypyridine-3-carbonitrile
CID 709284
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290
4-(4-Chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 678564
4-(4-Fluorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 789665
4,6-Dimethyl-2-phenoxy-nicotinonitrile
CID 946983

Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile?
The IUPAC name of 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile (CID 10337448) is 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile.
What is the SMILES notation for 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile?
The canonical SMILES for 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile is N#CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile?
The InChIKey is BVTSGHBSZIPCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c24-15-9-1-2-10-16-26-23-18-21(19-11-5-3-6-12-19)17-22(25-23)20-13-7-4-8-14-20/h3-8,11-14,17-18H,1-2,9-10,16H2.
What are the key properties of 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile?
6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile has a molecular weight of 342.44 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanenitrile is sourced from PubChem (CID 10337448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).