[2-(4-fluorobenzoyl)-3,6-diphenylphenyl]-(4-fluorophenyl)methanone

C32H20F2O2 — CID 54400181

IUPAC[2-(4-fluorobenzoyl)-3,6-diphenylphenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1c(-c2ccccc2)ccc(-c2ccccc2)c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C32H20F2O2/c33-25-15-11-23(12-16-25)31(35)29-27(21-7-3-1-4-8-21)19-20-28(22-9-5-2-6-10-22)30(29)32(36)24-13-17-26(34)18-14-24/h1-20H
InChIKeyVMVZERRZGNZKGL-UHFFFAOYSA-N
MW474.51 g/mol
LogP7.76
Rot. Bonds6

About [2-(4-fluorobenzoyl)-3,6-diphenylphenyl]-(4-fluorophenyl)methanone

[2-(4-fluorobenzoyl)-3,6-diphenylphenyl]-(4-fluorophenyl)methanone (PubChem CID 54400181) has the molecular formula C32H20F2O2 and a molecular weight of 474.51 g/mol. Its IUPAC name is [2-(4-fluorobenzoyl)-3,6-diphenylphenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(4-fluorobenzoyl)-3,6-diphenylphenyl]-(4-fluorophenyl)methanone
PubChem CID54400181
Molecular FormulaC32H20F2O2
Molecular Weight474.51 g/mol
Exact Mass474.14
IUPAC Name[2-(4-fluorobenzoyl)-3,6-diphenylphenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1c(-c2ccccc2)ccc(-c2ccccc2)c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C32H20F2O2/c33-25-15-11-23(12-16-25)31(35)29-27(21-7-3-1-4-8-21)19-20-28(22-9-5-2-6-10-22)30(29)32(36)24-13-17-26(34)18-14-24/h1-20H
InChIKeyVMVZERRZGNZKGL-UHFFFAOYSA-N
XLogP7.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.51
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorobenzoyl)-3,6-diphenylphenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-(4-fluorobenzoyl)-3,6-diphenylphenyl]-(4-fluorophenyl)methanone (CID 54400181) is [2-(4-fluorobenzoyl)-3,6-diphenylphenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-(4-fluorobenzoyl)-3,6-diphenylphenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-(4-fluorobenzoyl)-3,6-diphenylphenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1c(-c2ccccc2)ccc(-c2ccccc2)c1C(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorobenzoyl)-3,6-diphenylphenyl]-(4-fluorophenyl)methanone?
The InChIKey is VMVZERRZGNZKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20F2O2/c33-25-15-11-23(12-16-25)31(35)29-27(21-7-3-1-4-8-21)19-20-28(22-9-5-2-6-10-22)30(29)32(36)24-13-17-26(34)18-14-24/h1-20H.
What are the key properties of [2-(4-fluorobenzoyl)-3,6-diphenylphenyl]-(4-fluorophenyl)methanone?
[2-(4-fluorobenzoyl)-3,6-diphenylphenyl]-(4-fluorophenyl)methanone has a molecular weight of 474.51 g/mol, XLogP of 7.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorobenzoyl)-3,6-diphenylphenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 54400181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).