5-benzylindeno[1,2-b]indole-6,9,10-trione

C22H13NO3 — CID 24826192

IUPAC5-benzylindeno[1,2-b]indole-6,9,10-trione
SMILESO=c1ccc(=O)c2c1c1c(=O)c3ccccc3c1n2Cc1ccccc1
InChIInChI=1S/C22H13NO3/c24-16-10-11-17(25)21-18(16)19-20(14-8-4-5-9-15(14)22(19)26)23(21)12-13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyJGAMCAFOBDTYOG-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.95
Rot. Bonds2

About 5-benzylindeno[1,2-b]indole-6,9,10-trione

5-benzylindeno[1,2-b]indole-6,9,10-trione (PubChem CID 24826192) has the molecular formula C22H13NO3 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-benzylindeno[1,2-b]indole-6,9,10-trione.

Molecular Properties

Compound Name5-benzylindeno[1,2-b]indole-6,9,10-trione
PubChem CID24826192
Molecular FormulaC22H13NO3
Molecular Weight339.35 g/mol
Exact Mass339.09
IUPAC Name5-benzylindeno[1,2-b]indole-6,9,10-trione
SMILESO=c1ccc(=O)c2c1c1c(=O)c3ccccc3c1n2Cc1ccccc1
InChIInChI=1S/C22H13NO3/c24-16-10-11-17(25)21-18(16)19-20(14-8-4-5-9-15(14)22(19)26)23(21)12-13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyJGAMCAFOBDTYOG-UHFFFAOYSA-N
XLogP2.95
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzylindeno[1,2-b]indole-6,9,10-trione?
The IUPAC name of 5-benzylindeno[1,2-b]indole-6,9,10-trione (CID 24826192) is 5-benzylindeno[1,2-b]indole-6,9,10-trione.
What is the SMILES notation for 5-benzylindeno[1,2-b]indole-6,9,10-trione?
The canonical SMILES for 5-benzylindeno[1,2-b]indole-6,9,10-trione is O=c1ccc(=O)c2c1c1c(=O)c3ccccc3c1n2Cc1ccccc1.
What is the InChIKey of 5-benzylindeno[1,2-b]indole-6,9,10-trione?
The InChIKey is JGAMCAFOBDTYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13NO3/c24-16-10-11-17(25)21-18(16)19-20(14-8-4-5-9-15(14)22(19)26)23(21)12-13-6-2-1-3-7-13/h1-11H,12H2.
What are the key properties of 5-benzylindeno[1,2-b]indole-6,9,10-trione?
5-benzylindeno[1,2-b]indole-6,9,10-trione has a molecular weight of 339.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylindeno[1,2-b]indole-6,9,10-trione is sourced from PubChem (CID 24826192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).