2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione

C24H13NO3 — CID 2876619

IUPAC2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C24H13NO3/c26-23-18-8-3-5-14-6-4-9-19(22(14)18)24(27)25(23)15-11-12-17-16-7-1-2-10-20(16)28-21(17)13-15/h1-13H
InChIKeyPPCXFPXBZCJVAV-UHFFFAOYSA-N
MW363.37 g/mol
LogP5.54
Rot. Bonds1

About 2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione

2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 2876619) has the molecular formula C24H13NO3 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione
PubChem CID2876619
Molecular FormulaC24H13NO3
Molecular Weight363.37 g/mol
Exact Mass363.09
IUPAC Name2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C24H13NO3/c26-23-18-8-3-5-14-6-4-9-19(22(14)18)24(27)25(23)15-11-12-17-16-7-1-2-10-20(16)28-21(17)13-15/h1-13H
InChIKeyPPCXFPXBZCJVAV-UHFFFAOYSA-N
XLogP5.54
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.37
LogP ≤ 55.54
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

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CID 7550711
6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 137492261
2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione
CID 2317120
4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione
CID 3093304
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
(3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 27904582
(1S,2R,6S,7R)-4-dibenzofuran-3-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 40742050
3-(17,25-dimethyl-8-oxa-21-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2,4,6,9,11,13,15(20),16,18,23,25-dodecaen-21-yl)xanthen-9-one
CID 121420467
2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 102469897
N-dibenzofuran-3-yl-2-[[6-(1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
CID 3741046
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379960
5-dibenzofuran-3-yl-10,10-dimethyl-6-pyren-1-ylindeno[1,2-b]indole
CID 171467024

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione (CID 2876619) is 2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is PPCXFPXBZCJVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13NO3/c26-23-18-8-3-5-14-6-4-9-19(22(14)18)24(27)25(23)15-11-12-17-16-7-1-2-10-20(16)28-21(17)13-15/h1-13H.
What are the key properties of 2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione?
2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 363.37 g/mol, XLogP of 5.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 2876619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).