3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile

C24H20N2O — CID 171576900

IUPAC3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile
SMILESN#CC1CCCC(c2ccnc(-c3cccc4c3oc3ccccc34)c2)C1
InChIInChI=1S/C24H20N2O/c25-15-16-5-3-6-17(13-16)18-11-12-26-22(14-18)21-9-4-8-20-19-7-1-2-10-23(19)27-24(20)21/h1-2,4,7-12,14,16-17H,3,5-6,13H2
InChIKeyHVJRXWDXYLXNIB-UHFFFAOYSA-N
MW352.44 g/mol
LogP6.45
Rot. Bonds2

About 3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile

3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile (PubChem CID 171576900) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile
PubChem CID171576900
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile
SMILESN#CC1CCCC(c2ccnc(-c3cccc4c3oc3ccccc34)c2)C1
InChIInChI=1S/C24H20N2O/c25-15-16-5-3-6-17(13-16)18-11-12-26-22(14-18)21-9-4-8-20-19-7-1-2-10-23(19)27-24(20)21/h1-2,4,7-12,14,16-17H,3,5-6,13H2
InChIKeyHVJRXWDXYLXNIB-UHFFFAOYSA-N
XLogP6.45
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine
CID 156655181
4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 155612348
4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine
CID 166573869
2-dibenzofuran-4-ylpyridine
CID 59500175
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane
CID 164796927
5-dibenzofuran-4-yl-4-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13-hexaene
CID 176845056
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
2-dibenzofuran-4-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162707858
4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
CID 162500362
1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine
CID 25218280

Frequently Asked Questions

What is the IUPAC name of 3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile (CID 171576900) is 3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile is N#CC1CCCC(c2ccnc(-c3cccc4c3oc3ccccc34)c2)C1.
What is the InChIKey of 3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile?
The InChIKey is HVJRXWDXYLXNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c25-15-16-5-3-6-17(13-16)18-11-12-26-22(14-18)21-9-4-8-20-19-7-1-2-10-23(19)27-24(20)21/h1-2,4,7-12,14,16-17H,3,5-6,13H2.
What are the key properties of 3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile?
3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile has a molecular weight of 352.44 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 171576900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).