3,4-diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione

C25H21NO2 — CID 54581057

IUPAC3,4-diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1CCCc1ccccc1
InChIInChI=1S/C25H21NO2/c27-24-22(20-14-6-2-7-15-20)23(21-16-8-3-9-17-21)25(28)26(24)18-10-13-19-11-4-1-5-12-19/h1-9,11-12,14-17H,10,13,18H2
InChIKeyLLADRHRUIVZLGC-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.60
Rot. Bonds6

About 3,4-diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione

3,4-diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione (PubChem CID 54581057) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3,4-diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione
PubChem CID54581057
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name3,4-diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1CCCc1ccccc1
InChIInChI=1S/C25H21NO2/c27-24-22(20-14-6-2-7-15-20)23(21-16-8-3-9-17-21)25(28)26(24)18-10-13-19-11-4-1-5-12-19/h1-9,11-12,14-17H,10,13,18H2
InChIKeyLLADRHRUIVZLGC-UHFFFAOYSA-N
XLogP4.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.60
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 3,4-diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione (CID 54581057) is 3,4-diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione is O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1CCCc1ccccc1.
What is the InChIKey of 3,4-diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione?
The InChIKey is LLADRHRUIVZLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c27-24-22(20-14-6-2-7-15-20)23(21-16-8-3-9-17-21)25(28)26(24)18-10-13-19-11-4-1-5-12-19/h1-9,11-12,14-17H,10,13,18H2.
What are the key properties of 3,4-diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione?
3,4-diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione has a molecular weight of 367.45 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 54581057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).