1-(4-fluorophenyl)-3,4-diphenylpyrrole-2,5-dione

C22H14FNO2 — CID 11371306

IUPAC1-(4-fluorophenyl)-3,4-diphenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H14FNO2/c23-17-11-13-18(14-12-17)24-21(25)19(15-7-3-1-4-8-15)20(22(24)26)16-9-5-2-6-10-16/h1-14H
InChIKeyRSAJIBQBXLEKND-UHFFFAOYSA-N
MW343.36 g/mol
LogP4.31
Rot. Bonds3

About 1-(4-fluorophenyl)-3,4-diphenylpyrrole-2,5-dione

1-(4-fluorophenyl)-3,4-diphenylpyrrole-2,5-dione (PubChem CID 11371306) has the molecular formula C22H14FNO2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,4-diphenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,4-diphenylpyrrole-2,5-dione
PubChem CID11371306
Molecular FormulaC22H14FNO2
Molecular Weight343.36 g/mol
Exact Mass343.10
IUPAC Name1-(4-fluorophenyl)-3,4-diphenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H14FNO2/c23-17-11-13-18(14-12-17)24-21(25)19(15-7-3-1-4-8-15)20(22(24)26)16-9-5-2-6-10-16/h1-14H
InChIKeyRSAJIBQBXLEKND-UHFFFAOYSA-N
XLogP4.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,4-diphenylpyrrole-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3,4-diphenylpyrrole-2,5-dione (CID 11371306) is 1-(4-fluorophenyl)-3,4-diphenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3,4-diphenylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3,4-diphenylpyrrole-2,5-dione is O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3,4-diphenylpyrrole-2,5-dione?
The InChIKey is RSAJIBQBXLEKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FNO2/c23-17-11-13-18(14-12-17)24-21(25)19(15-7-3-1-4-8-15)20(22(24)26)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 1-(4-fluorophenyl)-3,4-diphenylpyrrole-2,5-dione?
1-(4-fluorophenyl)-3,4-diphenylpyrrole-2,5-dione has a molecular weight of 343.36 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,4-diphenylpyrrole-2,5-dione is sourced from PubChem (CID 11371306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).