2-phenylbenzo[f]isoindole-1,3-dione

C18H11NO2 — CID 2734601

IUPAC2-phenylbenzo[f]isoindole-1,3-dione
SMILESO=C1c2cc3ccccc3cc2C(=O)N1c1ccccc1
InChIInChI=1S/C18H11NO2/c20-17-15-10-12-6-4-5-7-13(12)11-16(15)18(21)19(17)14-8-2-1-3-9-14/h1-11H
InChIKeySAJVJIKFDFLINJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.64
Rot. Bonds1

About 2-phenylbenzo[f]isoindole-1,3-dione

2-phenylbenzo[f]isoindole-1,3-dione (PubChem CID 2734601) has the molecular formula C18H11NO2 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-phenylbenzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-phenylbenzo[f]isoindole-1,3-dione
PubChem CID2734601
Molecular FormulaC18H11NO2
Molecular Weight273.29 g/mol
Exact Mass273.08
IUPAC Name2-phenylbenzo[f]isoindole-1,3-dione
SMILESO=C1c2cc3ccccc3cc2C(=O)N1c1ccccc1
InChIInChI=1S/C18H11NO2/c20-17-15-10-12-6-4-5-7-13(12)11-16(15)18(21)19(17)14-8-2-1-3-9-14/h1-11H
InChIKeySAJVJIKFDFLINJ-UHFFFAOYSA-N
XLogP3.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phenylbenzo[f]isoindole-1,3-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 2-phenylbenzo[f]isoindole-1,3-dione?
The IUPAC name of 2-phenylbenzo[f]isoindole-1,3-dione (CID 2734601) is 2-phenylbenzo[f]isoindole-1,3-dione.
What is the SMILES notation for 2-phenylbenzo[f]isoindole-1,3-dione?
The canonical SMILES for 2-phenylbenzo[f]isoindole-1,3-dione is O=C1c2cc3ccccc3cc2C(=O)N1c1ccccc1.
What is the InChIKey of 2-phenylbenzo[f]isoindole-1,3-dione?
The InChIKey is SAJVJIKFDFLINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2/c20-17-15-10-12-6-4-5-7-13(12)11-16(15)18(21)19(17)14-8-2-1-3-9-14/h1-11H.
What are the key properties of 2-phenylbenzo[f]isoindole-1,3-dione?
2-phenylbenzo[f]isoindole-1,3-dione has a molecular weight of 273.29 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbenzo[f]isoindole-1,3-dione is sourced from PubChem (CID 2734601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).