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

C26H23NO2 — CID 54585387

IUPAC3,4-diphenyl-1-(4-phenylbutyl)pyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1CCCCc1ccccc1
InChIInChI=1S/C26H23NO2/c28-25-23(21-15-6-2-7-16-21)24(22-17-8-3-9-18-22)26(29)27(25)19-11-10-14-20-12-4-1-5-13-20/h1-9,12-13,15-18H,10-11,14,19H2
InChIKeyZODALOCREFZGBA-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.99
Rot. Bonds7

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

3,4-diphenyl-1-(4-phenylbutyl)pyrrole-2,5-dione (PubChem CID 54585387) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3,4-diphenyl-1-(4-phenylbutyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-diphenyl-1-(4-phenylbutyl)pyrrole-2,5-dione
PubChem CID54585387
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name3,4-diphenyl-1-(4-phenylbutyl)pyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1CCCCc1ccccc1
InChIInChI=1S/C26H23NO2/c28-25-23(21-15-6-2-7-16-21)24(22-17-8-3-9-18-22)26(29)27(25)19-11-10-14-20-12-4-1-5-13-20/h1-9,12-13,15-18H,10-11,14,19H2
InChIKeyZODALOCREFZGBA-UHFFFAOYSA-N
XLogP4.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-phenylbutyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-diphenyl-1-(4-phenylbutyl)pyrrole-2,5-dione (CID 54585387) is 3,4-diphenyl-1-(4-phenylbutyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-diphenyl-1-(4-phenylbutyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-diphenyl-1-(4-phenylbutyl)pyrrole-2,5-dione is O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1CCCCc1ccccc1.
What is the InChIKey of 3,4-diphenyl-1-(4-phenylbutyl)pyrrole-2,5-dione?
The InChIKey is ZODALOCREFZGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2/c28-25-23(21-15-6-2-7-16-21)24(22-17-8-3-9-18-22)26(29)27(25)19-11-10-14-20-12-4-1-5-13-20/h1-9,12-13,15-18H,10-11,14,19H2.
What are the key properties of 3,4-diphenyl-1-(4-phenylbutyl)pyrrole-2,5-dione?
3,4-diphenyl-1-(4-phenylbutyl)pyrrole-2,5-dione has a molecular weight of 381.48 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1-(4-phenylbutyl)pyrrole-2,5-dione is sourced from PubChem (CID 54585387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).