5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione

C20H10BrNO3 — CID 7550711

IUPAC5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C20H10BrNO3/c21-11-5-7-15-16(9-11)20(24)22(19(15)23)12-6-8-14-13-3-1-2-4-17(13)25-18(14)10-12/h1-10H
InChIKeyRFGLVCJVNNQCJE-UHFFFAOYSA-N
MW392.21 g/mol
LogP5.15
Rot. Bonds1

About 5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione

5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione (PubChem CID 7550711) has the molecular formula C20H10BrNO3 and a molecular weight of 392.21 g/mol. Its IUPAC name is 5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione
PubChem CID7550711
Molecular FormulaC20H10BrNO3
Molecular Weight392.21 g/mol
Exact Mass390.98
IUPAC Name5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C20H10BrNO3/c21-11-5-7-15-16(9-11)20(24)22(19(15)23)12-6-8-14-13-3-1-2-4-17(13)25-18(14)10-12/h1-10H
InChIKeyRFGLVCJVNNQCJE-UHFFFAOYSA-N
XLogP5.15
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.21
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione
CID 2876619
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
2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione
CID 2317120
(3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 27904582
4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione
CID 3093304
5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione
CID 64782042
5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione
CID 4577389
3-(5-bromo-1,3-dioxoisoindol-2-yl)benzoic acid
CID 690729
(1S,2R,6S,7R)-4-dibenzofuran-3-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 40742050
3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline
CID 121443842
7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran
CID 167303576

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione?
The IUPAC name of 5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione (CID 7550711) is 5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione is O=C1c2ccc(Br)cc2C(=O)N1c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione?
The InChIKey is RFGLVCJVNNQCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10BrNO3/c21-11-5-7-15-16(9-11)20(24)22(19(15)23)12-6-8-14-13-3-1-2-4-17(13)25-18(14)10-12/h1-10H.
What are the key properties of 5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione?
5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione has a molecular weight of 392.21 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione is sourced from PubChem (CID 7550711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).