2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione

C20H12N2O4 — CID 3412114

IUPAC2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(-c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H12N2O4/c23-19-15-8-4-5-9-16(15)20(24)21(19)17-11-10-14(12-18(17)22(25)26)13-6-2-1-3-7-13/h1-12H
InChIKeyRQOBZPHXZAYBGI-UHFFFAOYSA-N
MW344.33 g/mol
LogP4.06
Rot. Bonds3

About 2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione

2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione (PubChem CID 3412114) has the molecular formula C20H12N2O4 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione
PubChem CID3412114
Molecular FormulaC20H12N2O4
Molecular Weight344.33 g/mol
Exact Mass344.08
IUPAC Name2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(-c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H12N2O4/c23-19-15-8-4-5-9-16(15)20(24)21(19)17-11-10-14(12-18(17)22(25)26)13-6-2-1-3-7-13/h1-12H
InChIKeyRQOBZPHXZAYBGI-UHFFFAOYSA-N
XLogP4.06
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2-nitro-4-phenylphenyl)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

Related Compounds

2-(4-methoxy-2-nitrophenyl)isoindole-1,3-dione
CID 619974
4-[4-(1,3-dioxoisoindol-2-yl)-3-nitrophenyl]piperazine-1-carboxylic acid
CID 118026042
2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione
CID 172816756
2-nitro-4-phenylphenol
CID 13447
1-methyl-2-nitro-4-phenylbenzene
CID 12909826
5-nitro-2-[2-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 19370940
1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene
CID 90215701
2-(2-chloro-5-nitrophenyl)isoindole-1,3-dione
CID 677455
2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione
CID 132965088
2-(2-iodo-5-nitrophenyl)isoindole-1,3-dione
CID 168516776
2-(4-chloro-2-fluoro-5-nitrophenyl)isoindole-1,3-dione;2-(4-chloro-2-fluorophenyl)isoindole-1,3-dione
CID 158663504
1-(2,4-dinitrophenyl)-5-phenyl-3-(4-phenylphenyl)pyrazole
CID 23583323

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione (CID 3412114) is 2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(-c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione?
The InChIKey is RQOBZPHXZAYBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O4/c23-19-15-8-4-5-9-16(15)20(24)21(19)17-11-10-14(12-18(17)22(25)26)13-6-2-1-3-7-13/h1-12H.
What are the key properties of 2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione?
2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione has a molecular weight of 344.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 3412114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).