1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

C23H14F3NO2 — CID 67016587

IUPAC1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(-c2ccccc2-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C23H14F3NO2/c24-23(25,26)20-14-16(27-21(28)12-13-22(27)29)10-11-19(20)18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-14H
InChIKeyVJLQGRJLDDMKRU-UHFFFAOYSA-N
MW393.36 g/mol
LogP5.47
Rot. Bonds3

About 1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 67016587) has the molecular formula C23H14F3NO2 and a molecular weight of 393.36 g/mol. Its IUPAC name is 1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID67016587
Molecular FormulaC23H14F3NO2
Molecular Weight393.36 g/mol
Exact Mass393.10
IUPAC Name1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(-c2ccccc2-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C23H14F3NO2/c24-23(25,26)20-14-16(27-21(28)12-13-22(27)29)10-11-19(20)18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-14H
InChIKeyVJLQGRJLDDMKRU-UHFFFAOYSA-N
XLogP5.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.36
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 3729076
1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 156554608
4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile
CID 138675545
2-[4-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 59128028
1-(3-phenylphenyl)pyrrole-2,5-dione
CID 930984
1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)-2-fluorophenyl]phenyl]phenyl]pyrrole-2,5-dione
CID 138493669
4-phenyl-3-(trifluoromethyl)benzenethiol
CID 22057738
4-phenyl-3-(trifluoromethyl)aniline
CID 16768764
methane;1-phenylpyrrole-2,5-dione
CID 174935875
9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole
CID 174910528
1-[4-[4-[1,1-bis[4-[4-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 102282521
(1R,2S,6R,7S)-4-[4-chloro-3-(trifluoromethyl)phenyl]-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 94250032

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 67016587) is 1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(-c2ccccc2-c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is VJLQGRJLDDMKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3NO2/c24-23(25,26)20-14-16(27-21(28)12-13-22(27)29)10-11-19(20)18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-14H.
What are the key properties of 1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 393.36 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 67016587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).