5H-benzo[b]carbazole-6,11-dione

C16H9NO2 — CID 11436556

IUPAC5H-benzo[b]carbazole-6,11-dione
SMILESO=C1c2ccccc2C(=O)c2c1[nH]c1ccccc21
InChIInChI=1S/C16H9NO2/c18-15-9-5-1-2-6-10(9)16(19)14-13(15)11-7-3-4-8-12(11)17-14/h1-8,17H
InChIKeyMUFKSKNPYXEXIH-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.94
Rot. Bonds

About 5H-benzo[b]carbazole-6,11-dione

5H-benzo[b]carbazole-6,11-dione (PubChem CID 11436556) has the molecular formula C16H9NO2 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5H-benzo[b]carbazole-6,11-dione.

Molecular Properties

Compound Name5H-benzo[b]carbazole-6,11-dione
PubChem CID11436556
Molecular FormulaC16H9NO2
Molecular Weight247.25 g/mol
Exact Mass247.06
IUPAC Name5H-benzo[b]carbazole-6,11-dione
SMILESO=C1c2ccccc2C(=O)c2c1[nH]c1ccccc21
InChIInChI=1S/C16H9NO2/c18-15-9-5-1-2-6-10(9)16(19)14-13(15)11-7-3-4-8-12(11)17-14/h1-8,17H
InChIKeyMUFKSKNPYXEXIH-UHFFFAOYSA-N
XLogP2.94
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5H-benzo[b]carbazole-6,11-dione?
The IUPAC name of 5H-benzo[b]carbazole-6,11-dione (CID 11436556) is 5H-benzo[b]carbazole-6,11-dione.
What is the SMILES notation for 5H-benzo[b]carbazole-6,11-dione?
The canonical SMILES for 5H-benzo[b]carbazole-6,11-dione is O=C1c2ccccc2C(=O)c2c1[nH]c1ccccc21.
What is the InChIKey of 5H-benzo[b]carbazole-6,11-dione?
The InChIKey is MUFKSKNPYXEXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO2/c18-15-9-5-1-2-6-10(9)16(19)14-13(15)11-7-3-4-8-12(11)17-14/h1-8,17H.
What are the key properties of 5H-benzo[b]carbazole-6,11-dione?
5H-benzo[b]carbazole-6,11-dione has a molecular weight of 247.25 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-benzo[b]carbazole-6,11-dione is sourced from PubChem (CID 11436556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).