6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione

C19H12N2O2 — CID 888605

IUPAC6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1c1ccccc1-c1ccccc1
InChIInChI=1S/C19H12N2O2/c22-18-15-10-6-12-20-17(15)19(23)21(18)16-11-5-4-9-14(16)13-7-2-1-3-8-13/h1-12H
InChIKeyOPXDJFHAXFVCDS-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.55
Rot. Bonds2

About 6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 888605) has the molecular formula C19H12N2O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID888605
Molecular FormulaC19H12N2O2
Molecular Weight300.32 g/mol
Exact Mass300.09
IUPAC Name6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1c1ccccc1-c1ccccc1
InChIInChI=1S/C19H12N2O2/c22-18-15-10-6-12-20-17(15)19(23)21(18)16-11-5-4-9-14(16)13-7-2-1-3-8-13/h1-12H
InChIKeyOPXDJFHAXFVCDS-UHFFFAOYSA-N
XLogP3.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-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 6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 888605) is 6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1c1ccccc1-c1ccccc1.
What is the InChIKey of 6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is OPXDJFHAXFVCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2/c22-18-15-10-6-12-20-17(15)19(23)21(18)16-11-5-4-9-14(16)13-7-2-1-3-8-13/h1-12H.
What are the key properties of 6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 300.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 888605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).