[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone

C26H16F2O2 — CID 71341049

IUPAC[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cccc(-c2cccc(C(=O)c3ccc(F)cc3)c2)c1
InChIInChI=1S/C26H16F2O2/c27-23-11-7-17(8-12-23)25(29)21-5-1-3-19(15-21)20-4-2-6-22(16-20)26(30)18-9-13-24(28)14-10-18/h1-16H
InChIKeyORMDVYPSOHVGOI-UHFFFAOYSA-N
MW398.41 g/mol
LogP6.09
Rot. Bonds5

About [3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone

[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone (PubChem CID 71341049) has the molecular formula C26H16F2O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is [3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
PubChem CID71341049
Molecular FormulaC26H16F2O2
Molecular Weight398.41 g/mol
Exact Mass398.11
IUPAC Name[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cccc(-c2cccc(C(=O)c3ccc(F)cc3)c2)c1
InChIInChI=1S/C26H16F2O2/c27-23-11-7-17(8-12-23)25(29)21-5-1-3-19(15-21)20-4-2-6-22(16-20)26(30)18-9-13-24(28)14-10-18/h1-16H
InChIKeyORMDVYPSOHVGOI-UHFFFAOYSA-N
XLogP6.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.41
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-(3-iodophenyl)methanone
CID 24722824
(4-fluorophenyl)-phenylmethanone
CID 161464622
[3,4-bis(4-fluorophenyl)phenyl]-phenylmethanone
CID 46188813
2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide
CID 174372485
(4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone
CID 68993545
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
(4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone
CID 150735803
(4-fluorophenyl)-[3-[2-(3,4,5-trifluorophenyl)ethynyl]phenyl]methanone
CID 70116855
bis[3-(3-bromophenyl)phenyl]methanone;methane
CID 158177415
(3-fluorophenyl)-(4-nitrophenyl)methanone
CID 24722816
adamantane;(4-fluorophenyl)-phenylmethanone
CID 174728613
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone (CID 71341049) is [3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1cccc(-c2cccc(C(=O)c3ccc(F)cc3)c2)c1.
What is the InChIKey of [3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is ORMDVYPSOHVGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F2O2/c27-23-11-7-17(8-12-23)25(29)21-5-1-3-19(15-21)20-4-2-6-22(16-20)26(30)18-9-13-24(28)14-10-18/h1-16H.
What are the key properties of [3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone?
[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 398.41 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 71341049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).