1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone

C34H22F2O3 — CID 58769516

IUPAC1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C(=O)c3ccc(F)cc3)cc2)ccc1-c1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C34H22F2O3/c1-21(37)32-20-28(22-2-6-24(7-3-22)33(38)26-10-15-29(35)16-11-26)14-19-31(32)23-4-8-25(9-5-23)34(39)27-12-17-30(36)18-13-27/h2-20H,1H3
InChIKeyFNYUBVQLVYLKTG-UHFFFAOYSA-N
MW516.54 g/mol
LogP7.96
Rot. Bonds7

About 1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone

1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone (PubChem CID 58769516) has the molecular formula C34H22F2O3 and a molecular weight of 516.54 g/mol. Its IUPAC name is 1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone
PubChem CID58769516
Molecular FormulaC34H22F2O3
Molecular Weight516.54 g/mol
Exact Mass516.15
IUPAC Name1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C(=O)c3ccc(F)cc3)cc2)ccc1-c1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C34H22F2O3/c1-21(37)32-20-28(22-2-6-24(7-3-22)33(38)26-10-15-29(35)16-11-26)14-19-31(32)23-4-8-25(9-5-23)34(39)27-12-17-30(36)18-13-27/h2-20H,1H3
InChIKeyFNYUBVQLVYLKTG-UHFFFAOYSA-N
XLogP7.96
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.54
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-2-(4-methylphenyl)phenyl]ethanone
CID 175647024
1-[2-(4-fluorophenyl)-5-methoxyphenyl]ethanone
CID 175647071
1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone;bis(dihydroxy-methyl-oxo-(oxolan-2-ylmethyl)-λ6-sulfane);naphthalene
CID 90730992
[3,4-bis(4-fluorophenyl)phenyl]-phenylmethanone
CID 46188813
methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate
CID 146165919
1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone
CID 82541260
1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone
CID 175647195
1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone
CID 59872501
[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
CID 71341049
but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone
CID 157412429
1-[5-amino-2-(4-aminophenyl)phenyl]ethanone
CID 22756817
4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde
CID 175444205

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone (CID 58769516) is 1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone is CC(=O)c1cc(-c2ccc(C(=O)c3ccc(F)cc3)cc2)ccc1-c1ccc(C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone?
The InChIKey is FNYUBVQLVYLKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22F2O3/c1-21(37)32-20-28(22-2-6-24(7-3-22)33(38)26-10-15-29(35)16-11-26)14-19-31(32)23-4-8-25(9-5-23)34(39)27-12-17-30(36)18-13-27/h2-20H,1H3.
What are the key properties of 1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone?
1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone has a molecular weight of 516.54 g/mol, XLogP of 7.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis[4-(4-fluorobenzoyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 58769516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).