4-phenyl-2-pyridin-2-ylbenzo[f]isoindole-1,3-dione

C23H14N2O2 — CID 1240719

IUPAC4-phenyl-2-pyridin-2-ylbenzo[f]isoindole-1,3-dione
SMILESO=C1c2cc3ccccc3c(-c3ccccc3)c2C(=O)N1c1ccccn1
InChIInChI=1S/C23H14N2O2/c26-22-18-14-16-10-4-5-11-17(16)20(15-8-2-1-3-9-15)21(18)23(27)25(22)19-12-6-7-13-24-19/h1-14H
InChIKeyJZCCIQVTVRFHIS-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.70
Rot. Bonds2

About 4-phenyl-2-pyridin-2-ylbenzo[f]isoindole-1,3-dione

4-phenyl-2-pyridin-2-ylbenzo[f]isoindole-1,3-dione (PubChem CID 1240719) has the molecular formula C23H14N2O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-phenyl-2-pyridin-2-ylbenzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name4-phenyl-2-pyridin-2-ylbenzo[f]isoindole-1,3-dione
PubChem CID1240719
Molecular FormulaC23H14N2O2
Molecular Weight350.38 g/mol
Exact Mass350.11
IUPAC Name4-phenyl-2-pyridin-2-ylbenzo[f]isoindole-1,3-dione
SMILESO=C1c2cc3ccccc3c(-c3ccccc3)c2C(=O)N1c1ccccn1
InChIInChI=1S/C23H14N2O2/c26-22-18-14-16-10-4-5-11-17(16)20(15-8-2-1-3-9-15)21(18)23(27)25(22)19-12-6-7-13-24-19/h1-14H
InChIKeyJZCCIQVTVRFHIS-UHFFFAOYSA-N
XLogP4.70
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-pyridin-2-ylbenzo[f]isoindole-1,3-dione?
The IUPAC name of 4-phenyl-2-pyridin-2-ylbenzo[f]isoindole-1,3-dione (CID 1240719) is 4-phenyl-2-pyridin-2-ylbenzo[f]isoindole-1,3-dione.
What is the SMILES notation for 4-phenyl-2-pyridin-2-ylbenzo[f]isoindole-1,3-dione?
The canonical SMILES for 4-phenyl-2-pyridin-2-ylbenzo[f]isoindole-1,3-dione is O=C1c2cc3ccccc3c(-c3ccccc3)c2C(=O)N1c1ccccn1.
What is the InChIKey of 4-phenyl-2-pyridin-2-ylbenzo[f]isoindole-1,3-dione?
The InChIKey is JZCCIQVTVRFHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O2/c26-22-18-14-16-10-4-5-11-17(16)20(15-8-2-1-3-9-15)21(18)23(27)25(22)19-12-6-7-13-24-19/h1-14H.
What are the key properties of 4-phenyl-2-pyridin-2-ylbenzo[f]isoindole-1,3-dione?
4-phenyl-2-pyridin-2-ylbenzo[f]isoindole-1,3-dione has a molecular weight of 350.38 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-pyridin-2-ylbenzo[f]isoindole-1,3-dione is sourced from PubChem (CID 1240719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).