2-phenylbenzo[de]isoquinoline-1,3-dione

C18H11NO2 — CID 623407

IUPAC2-phenylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccccc1
InChIInChI=1S/C18H11NO2/c20-17-14-10-4-6-12-7-5-11-15(16(12)14)18(21)19(17)13-8-2-1-3-9-13/h1-11H
InChIKeyHWWBUBSEWUZCOC-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.64
Rot. Bonds1

About 2-phenylbenzo[de]isoquinoline-1,3-dione

2-phenylbenzo[de]isoquinoline-1,3-dione (PubChem CID 623407) has the molecular formula C18H11NO2 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-phenylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-phenylbenzo[de]isoquinoline-1,3-dione
PubChem CID623407
Molecular FormulaC18H11NO2
Molecular Weight273.29 g/mol
Exact Mass273.08
IUPAC Name2-phenylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccccc1
InChIInChI=1S/C18H11NO2/c20-17-14-10-4-6-12-7-5-11-15(16(12)14)18(21)19(17)13-8-2-1-3-9-13/h1-11H
InChIKeyHWWBUBSEWUZCOC-UHFFFAOYSA-N
XLogP3.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-phenylbenzo[de]isoquinoline-1,3-dione (CID 623407) is 2-phenylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-phenylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-phenylbenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1c1ccccc1.
What is the InChIKey of 2-phenylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is HWWBUBSEWUZCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2/c20-17-14-10-4-6-12-7-5-11-15(16(12)14)18(21)19(17)13-8-2-1-3-9-13/h1-11H.
What are the key properties of 2-phenylbenzo[de]isoquinoline-1,3-dione?
2-phenylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 273.29 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 623407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).