2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine

C23H14FNO — CID 166564112

IUPAC2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)nc2)cc1
InChIInChI=1S/C23H14FNO/c24-17-11-8-15(9-12-17)16-10-13-21(25-14-16)20-6-3-5-19-18-4-1-2-7-22(18)26-23(19)20/h1-14H
InChIKeyBKKOFFNCJHXXSQ-UHFFFAOYSA-N
MW339.37 g/mol
LogP6.45
Rot. Bonds2

About 2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine

2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine (PubChem CID 166564112) has the molecular formula C23H14FNO and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine
PubChem CID166564112
Molecular FormulaC23H14FNO
Molecular Weight339.37 g/mol
Exact Mass339.11
IUPAC Name2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)nc2)cc1
InChIInChI=1S/C23H14FNO/c24-17-11-8-15(9-12-17)16-10-13-21(25-14-16)20-6-3-5-19-18-4-1-2-7-22(18)26-23(19)20/h1-14H
InChIKeyBKKOFFNCJHXXSQ-UHFFFAOYSA-N
XLogP6.45
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.37
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine?
The IUPAC name of 2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine (CID 166564112) is 2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine?
The canonical SMILES for 2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine is Fc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)nc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine?
The InChIKey is BKKOFFNCJHXXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FNO/c24-17-11-8-15(9-12-17)16-10-13-21(25-14-16)20-6-3-5-19-18-4-1-2-7-22(18)26-23(19)20/h1-14H.
What are the key properties of 2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine?
2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine has a molecular weight of 339.37 g/mol, XLogP of 6.45, 2 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-(4-fluorophenyl)pyridine is sourced from PubChem (CID 166564112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).