[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone

C30H15F9O3 — CID 139681041

IUPAC[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cc(C(=O)c2ccc(C(F)(F)F)cc2)cc(C(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C30H15F9O3/c31-28(32,33)22-7-1-16(2-8-22)25(40)19-13-20(26(41)17-3-9-23(10-4-17)29(34,35)36)15-21(14-19)27(42)18-5-11-24(12-6-18)30(37,38)39/h1-15H
InChIKeyXQPJESYRSWDDAE-UHFFFAOYSA-N
MW594.43 g/mol
LogP8.44
Rot. Bonds6

About [3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone

[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 139681041) has the molecular formula C30H15F9O3 and a molecular weight of 594.43 g/mol. Its IUPAC name is [3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID139681041
Molecular FormulaC30H15F9O3
Molecular Weight594.43 g/mol
Exact Mass594.09
IUPAC Name[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cc(C(=O)c2ccc(C(F)(F)F)cc2)cc(C(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C30H15F9O3/c31-28(32,33)22-7-1-16(2-8-22)25(40)19-13-20(26(41)17-3-9-23(10-4-17)29(34,35)36)15-21(14-19)27(42)18-5-11-24(12-6-18)30(37,38)39/h1-15H
InChIKeyXQPJESYRSWDDAE-UHFFFAOYSA-N
XLogP8.44
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.43
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 90132438
[4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone
CID 62789591
(3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970678
CID 161391832
CID 161391832
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 105095554
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889
[2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone
CID 116601926
(2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 43339470
(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 57261811
[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 118357502

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone (CID 139681041) is [3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)c1cc(C(=O)c2ccc(C(F)(F)F)cc2)cc(C(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of [3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is XQPJESYRSWDDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H15F9O3/c31-28(32,33)22-7-1-16(2-8-22)25(40)19-13-20(26(41)17-3-9-23(10-4-17)29(34,35)36)15-21(14-19)27(42)18-5-11-24(12-6-18)30(37,38)39/h1-15H.
What are the key properties of [3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone?
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 594.43 g/mol, XLogP of 8.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 139681041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).