7H-benzo[c]carbazole-5,6-dione

C16H9NO2 — CID 11207363

IUPAC7H-benzo[c]carbazole-5,6-dione
SMILESO=C1C(=O)c2[nH]c3ccccc3c2-c2ccccc21
InChIInChI=1S/C16H9NO2/c18-15-10-6-2-1-5-9(10)13-11-7-3-4-8-12(11)17-14(13)16(15)19/h1-8,17H
InChIKeyKHVOABYNKATKFM-UHFFFAOYSA-N
MW247.25 g/mol
LogP3.21
Rot. Bonds

About 7H-benzo[c]carbazole-5,6-dione

7H-benzo[c]carbazole-5,6-dione (PubChem CID 11207363) has the molecular formula C16H9NO2 and a molecular weight of 247.25 g/mol. Its IUPAC name is 7H-benzo[c]carbazole-5,6-dione.

Molecular Properties

Compound Name7H-benzo[c]carbazole-5,6-dione
PubChem CID11207363
Molecular FormulaC16H9NO2
Molecular Weight247.25 g/mol
Exact Mass247.06
IUPAC Name7H-benzo[c]carbazole-5,6-dione
SMILESO=C1C(=O)c2[nH]c3ccccc3c2-c2ccccc21
InChIInChI=1S/C16H9NO2/c18-15-10-6-2-1-5-9(10)13-11-7-3-4-8-12(11)17-14(13)16(15)19/h1-8,17H
InChIKeyKHVOABYNKATKFM-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7H-benzo[c]carbazole-5,6-dione?
The IUPAC name of 7H-benzo[c]carbazole-5,6-dione (CID 11207363) is 7H-benzo[c]carbazole-5,6-dione.
What is the SMILES notation for 7H-benzo[c]carbazole-5,6-dione?
The canonical SMILES for 7H-benzo[c]carbazole-5,6-dione is O=C1C(=O)c2[nH]c3ccccc3c2-c2ccccc21.
What is the InChIKey of 7H-benzo[c]carbazole-5,6-dione?
The InChIKey is KHVOABYNKATKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO2/c18-15-10-6-2-1-5-9(10)13-11-7-3-4-8-12(11)17-14(13)16(15)19/h1-8,17H.
What are the key properties of 7H-benzo[c]carbazole-5,6-dione?
7H-benzo[c]carbazole-5,6-dione has a molecular weight of 247.25 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-benzo[c]carbazole-5,6-dione is sourced from PubChem (CID 11207363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).