2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine

C23H14FNS — CID 166574663

IUPAC2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine
SMILESFc1ccc(-c2ccc3c(c2)sc2c(-c4ccccn4)cccc23)cc1
InChIInChI=1S/C23H14FNS/c24-17-10-7-15(8-11-17)16-9-12-18-19-4-3-5-20(21-6-1-2-13-25-21)23(19)26-22(18)14-16/h1-14H
InChIKeyKPPJIDWXIPKSOR-UHFFFAOYSA-N
MW355.44 g/mol
LogP6.92
Rot. Bonds2

About 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine

2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine (PubChem CID 166574663) has the molecular formula C23H14FNS and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine.

Molecular Properties

Compound Name2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine
PubChem CID166574663
Molecular FormulaC23H14FNS
Molecular Weight355.44 g/mol
Exact Mass355.08
IUPAC Name2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine
SMILESFc1ccc(-c2ccc3c(c2)sc2c(-c4ccccn4)cccc23)cc1
InChIInChI=1S/C23H14FNS/c24-17-10-7-15(8-11-17)16-9-12-18-19-4-3-5-20(21-6-1-2-13-25-21)23(19)26-22(18)14-16/h1-14H
InChIKeyKPPJIDWXIPKSOR-UHFFFAOYSA-N
XLogP6.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]pyridine
CID 166576691
[1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane
CID 165170727
trimethyl-(6-pyridin-2-yldibenzothiophen-3-yl)germane
CID 164832342
2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine
CID 155612463
3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
CID 169293933
3-[7-(3-phenylphenyl)dibenzothiophen-4-yl]isoquinoline
CID 166577401
4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169294012
4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-[7-(2,6-dimethylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170725
4-(2-deuteriopropan-2-yl)-2-[7-(4-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165171093
trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)dibenzothiophen-3-yl]phenyl]germane
CID 164832502
3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline
CID 169293985
2-[4-(6-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377434

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine?
The IUPAC name of 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine (CID 166574663) is 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine.
What is the SMILES notation for 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine?
The canonical SMILES for 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine is Fc1ccc(-c2ccc3c(c2)sc2c(-c4ccccn4)cccc23)cc1.
What is the InChIKey of 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine?
The InChIKey is KPPJIDWXIPKSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FNS/c24-17-10-7-15(8-11-17)16-9-12-18-19-4-3-5-20(21-6-1-2-13-25-21)23(19)26-22(18)14-16/h1-14H.
What are the key properties of 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine?
2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine has a molecular weight of 355.44 g/mol, XLogP of 6.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine is sourced from PubChem (CID 166574663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).