1-benzyl-3,4-diphenylpyrrole-2,5-dione

C23H17NO2 — CID 12587794

IUPAC1-benzyl-3,4-diphenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H17NO2/c25-22-20(18-12-6-2-7-13-18)21(19-14-8-3-9-15-19)23(26)24(22)16-17-10-4-1-5-11-17/h1-15H,16H2
InChIKeyKYIRTINSQJIXMY-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.17
Rot. Bonds4

About 1-benzyl-3,4-diphenylpyrrole-2,5-dione

1-benzyl-3,4-diphenylpyrrole-2,5-dione (PubChem CID 12587794) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-benzyl-3,4-diphenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3,4-diphenylpyrrole-2,5-dione
PubChem CID12587794
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name1-benzyl-3,4-diphenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H17NO2/c25-22-20(18-12-6-2-7-13-18)21(19-14-8-3-9-15-19)23(26)24(22)16-17-10-4-1-5-11-17/h1-15H,16H2
InChIKeyKYIRTINSQJIXMY-UHFFFAOYSA-N
XLogP4.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.17
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-benzyl-3,4-diphenylpyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3,4-diphenylpyrrole-2,5-dione (CID 12587794) is 1-benzyl-3,4-diphenylpyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3,4-diphenylpyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3,4-diphenylpyrrole-2,5-dione is O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3,4-diphenylpyrrole-2,5-dione?
The InChIKey is KYIRTINSQJIXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c25-22-20(18-12-6-2-7-13-18)21(19-14-8-3-9-15-19)23(26)24(22)16-17-10-4-1-5-11-17/h1-15H,16H2.
What are the key properties of 1-benzyl-3,4-diphenylpyrrole-2,5-dione?
1-benzyl-3,4-diphenylpyrrole-2,5-dione has a molecular weight of 339.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,4-diphenylpyrrole-2,5-dione is sourced from PubChem (CID 12587794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).