2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine

C25H26FNO — CID 171576815

IUPAC2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine
SMILESCCCCCCCCc1cc(-c2cccc3c2oc2ccccc23)ncc1F
InChIInChI=1S/C25H26FNO/c1-2-3-4-5-6-7-11-18-16-23(27-17-22(18)26)21-14-10-13-20-19-12-8-9-15-24(19)28-25(20)21/h8-10,12-17H,2-7,11H2,1H3
InChIKeyKPTHUJZPLXDBDJ-UHFFFAOYSA-N
MW375.49 g/mol
LogP7.69
Rot. Bonds8

About 2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine

2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine (PubChem CID 171576815) has the molecular formula C25H26FNO and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine
PubChem CID171576815
Molecular FormulaC25H26FNO
Molecular Weight375.49 g/mol
Exact Mass375.20
IUPAC Name2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine
SMILESCCCCCCCCc1cc(-c2cccc3c2oc2ccccc23)ncc1F
InChIInChI=1S/C25H26FNO/c1-2-3-4-5-6-7-11-18-16-23(27-17-22(18)26)21-14-10-13-20-19-12-8-9-15-24(19)28-25(20)21/h8-10,12-17H,2-7,11H2,1H3
InChIKeyKPTHUJZPLXDBDJ-UHFFFAOYSA-N
XLogP7.69
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 57.69
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-4-octylpyridine
CID 171576908
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
4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
CID 162707040
5,15-di(dibenzofuran-4-yl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 164528112
2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine
CID 159938299
3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine
CID 170531478
2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine
CID 166564112
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-5-yl)-5-(trideuteriomethyl)pyridine
CID 153490155
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-5-(trideuteriomethyl)pyridine
CID 153428694
5-tert-butyl-2-dibenzofuran-4-ylpyridine
CID 176637514
2-dibenzofuran-4-yl-5-propan-2-ylpyridine
CID 71236317
2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine
CID 170047501

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine?
The IUPAC name of 2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine (CID 171576815) is 2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine?
The canonical SMILES for 2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine is CCCCCCCCc1cc(-c2cccc3c2oc2ccccc23)ncc1F.
What is the InChIKey of 2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine?
The InChIKey is KPTHUJZPLXDBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO/c1-2-3-4-5-6-7-11-18-16-23(27-17-22(18)26)21-14-10-13-20-19-12-8-9-15-24(19)28-25(20)21/h8-10,12-17H,2-7,11H2,1H3.
What are the key properties of 2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine?
2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine has a molecular weight of 375.49 g/mol, XLogP of 7.69, 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-5-fluoro-4-octylpyridine is sourced from PubChem (CID 171576815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).