2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione

C20H10N2O5 — CID 2317120

IUPAC2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione
SMILESO=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C20H10N2O5/c23-19-14-5-3-6-15(22(25)26)18(14)20(24)21(19)11-8-9-13-12-4-1-2-7-16(12)27-17(13)10-11/h1-10H
InChIKeyQOTRIQLIIQEPBC-UHFFFAOYSA-N
MW358.31 g/mol
LogP4.29
Rot. Bonds2

About 2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione

2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione (PubChem CID 2317120) has the molecular formula C20H10N2O5 and a molecular weight of 358.31 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione
PubChem CID2317120
Molecular FormulaC20H10N2O5
Molecular Weight358.31 g/mol
Exact Mass358.06
IUPAC Name2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione
SMILESO=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C20H10N2O5/c23-19-14-5-3-6-15(22(25)26)18(14)20(24)21(19)11-8-9-13-12-4-1-2-7-16(12)27-17(13)10-11/h1-10H
InChIKeyQOTRIQLIIQEPBC-UHFFFAOYSA-N
XLogP4.29
TPSA93.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-dibenzofuran-3-yl-4-nitroisoindole-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-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione
CID 2876619
N-dibenzofuran-3-yl-2-[[6-(4-nitro-1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
CID 124530517
4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione
CID 3093304
4-nitro-2-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]isoindole-1,3-dione
CID 1364790
5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione
CID 7550711
4-nitro-2-(4-propan-2-ylphenyl)isoindole-1,3-dione
CID 19168396
2-(4-bromo-3,5-dimethylphenyl)-4-nitroisoindole-1,3-dione
CID 1291235
2-[4-(3,4-dimethylphenoxy)phenyl]-4-nitroisoindole-1,3-dione
CID 4597058
2-(2-methylquinolin-4-yl)-4-nitroisoindole-1,3-dione
CID 4584182
2-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-nitroisoindole-1,3-dione
CID 21208663
20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione
CID 19587901
6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 137492261

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione?
The IUPAC name of 2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione (CID 2317120) is 2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione?
The canonical SMILES for 2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione is O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione?
The InChIKey is QOTRIQLIIQEPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N2O5/c23-19-14-5-3-6-15(22(25)26)18(14)20(24)21(19)11-8-9-13-12-4-1-2-7-16(12)27-17(13)10-11/h1-10H.
What are the key properties of 2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione?
2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione has a molecular weight of 358.31 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione is sourced from PubChem (CID 2317120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).