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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).