[6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone

C26H14F2O2S — CID 139628900

IUPAC[6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc2c(c1)sc1c(C(=O)c3ccc(F)cc3)cccc12
InChIInChI=1S/C26H14F2O2S/c27-18-9-4-15(5-10-18)24(29)17-8-13-20-21-2-1-3-22(26(21)31-23(20)14-17)25(30)16-6-11-19(28)12-7-16/h1-14H
InChIKeyHEAWPPYKLOJHMR-UHFFFAOYSA-N
MW428.46 g/mol
LogP6.79
Rot. Bonds4

About [6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone

[6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone (PubChem CID 139628900) has the molecular formula C26H14F2O2S and a molecular weight of 428.46 g/mol. Its IUPAC name is [6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone
PubChem CID139628900
Molecular FormulaC26H14F2O2S
Molecular Weight428.46 g/mol
Exact Mass428.07
IUPAC Name[6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc2c(c1)sc1c(C(=O)c3ccc(F)cc3)cccc12
InChIInChI=1S/C26H14F2O2S/c27-18-9-4-15(5-10-18)24(29)17-8-13-20-21-2-1-3-22(26(21)31-23(20)14-17)25(30)16-6-11-19(28)12-7-16/h1-14H
InChIKeyHEAWPPYKLOJHMR-UHFFFAOYSA-N
XLogP6.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.46
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-benzoyldibenzothiophen-4-yl)-phenylmethanone
CID 141384650
[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
CID 71341049
[8-(dibenzothiophene-4-carbonyl)dibenzothiophen-2-yl]-(8,9-dihydrodibenzothiophen-4-yl)methanone
CID 91599500
1-benzothiophen-7-yl-(3,4-difluorophenyl)methanone
CID 81154298
(4-fluorophenyl)-(3-iodophenyl)methanone
CID 24722824
(4-fluorophenyl)-phenylmethanone
CID 161464622
(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone
CID 64714669
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
[2-(4-fluorobenzoyl)phenyl]azanium
CID 101152012
2-(4-fluorobenzoyl)benzoate
CID 5082940
[2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone
CID 71619385

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone (CID 139628900) is [6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccc2c(c1)sc1c(C(=O)c3ccc(F)cc3)cccc12.
What is the InChIKey of [6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is HEAWPPYKLOJHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F2O2S/c27-18-9-4-15(5-10-18)24(29)17-8-13-20-21-2-1-3-22(26(21)31-23(20)14-17)25(30)16-6-11-19(28)12-7-16/h1-14H.
What are the key properties of [6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone?
[6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 428.46 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 139628900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).