2-dibenzofuran-4-yl-4-octylpyridine

C25H27NO — CID 171576908

IUPAC2-dibenzofuran-4-yl-4-octylpyridine
SMILESCCCCCCCCc1ccnc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C25H27NO/c1-2-3-4-5-6-7-11-19-16-17-26-23(18-19)22-14-10-13-21-20-12-8-9-15-24(20)27-25(21)22/h8-10,12-18H,2-7,11H2,1H3
InChIKeyKENWEYKZJZRRQM-UHFFFAOYSA-N
MW357.50 g/mol
LogP7.55
Rot. Bonds8

About 2-dibenzofuran-4-yl-4-octylpyridine

2-dibenzofuran-4-yl-4-octylpyridine (PubChem CID 171576908) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-octylpyridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-octylpyridine
PubChem CID171576908
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name2-dibenzofuran-4-yl-4-octylpyridine
SMILESCCCCCCCCc1ccnc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C25H27NO/c1-2-3-4-5-6-7-11-19-16-17-26-23(18-19)22-14-10-13-21-20-12-8-9-15-24(20)27-25(21)22/h8-10,12-18H,2-7,11H2,1H3
InChIKeyKENWEYKZJZRRQM-UHFFFAOYSA-N
XLogP7.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine
CID 171576815
2-dibenzofuran-4-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162707858
4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
2-dibenzofuran-4-ylpyridine
CID 59500175
cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
CID 140844101
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
CID 159580616
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine
CID 170777206
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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-octylpyridine?
The IUPAC name of 2-dibenzofuran-4-yl-4-octylpyridine (CID 171576908) is 2-dibenzofuran-4-yl-4-octylpyridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-octylpyridine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-octylpyridine is CCCCCCCCc1ccnc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-octylpyridine?
The InChIKey is KENWEYKZJZRRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-2-3-4-5-6-7-11-19-16-17-26-23(18-19)22-14-10-13-21-20-12-8-9-15-24(20)27-25(21)22/h8-10,12-18H,2-7,11H2,1H3.
What are the key properties of 2-dibenzofuran-4-yl-4-octylpyridine?
2-dibenzofuran-4-yl-4-octylpyridine has a molecular weight of 357.50 g/mol, XLogP of 7.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-octylpyridine is sourced from PubChem (CID 171576908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).