2-butan-2-yl-5H-benzo[b]carbazole-6,11-dione

C20H17NO2 — CID 164622041

IUPAC2-butan-2-yl-5H-benzo[b]carbazole-6,11-dione
SMILESCCC(C)c1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C20H17NO2/c1-3-11(2)12-8-9-16-15(10-12)17-18(21-16)20(23)14-7-5-4-6-13(14)19(17)22/h4-11,21H,3H2,1-2H3
InChIKeyFHGXLDJGBMHAKZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.46
Rot. Bonds2

About 2-butan-2-yl-5H-benzo[b]carbazole-6,11-dione

2-butan-2-yl-5H-benzo[b]carbazole-6,11-dione (PubChem CID 164622041) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-butan-2-yl-5H-benzo[b]carbazole-6,11-dione.

Molecular Properties

Compound Name2-butan-2-yl-5H-benzo[b]carbazole-6,11-dione
PubChem CID164622041
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name2-butan-2-yl-5H-benzo[b]carbazole-6,11-dione
SMILESCCC(C)c1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C20H17NO2/c1-3-11(2)12-8-9-16-15(10-12)17-18(21-16)20(23)14-7-5-4-6-13(14)19(17)22/h4-11,21H,3H2,1-2H3
InChIKeyFHGXLDJGBMHAKZ-UHFFFAOYSA-N
XLogP4.46
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.46
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 2-butan-2-yl-5H-benzo[b]carbazole-6,11-dione?
The IUPAC name of 2-butan-2-yl-5H-benzo[b]carbazole-6,11-dione (CID 164622041) is 2-butan-2-yl-5H-benzo[b]carbazole-6,11-dione.
What is the SMILES notation for 2-butan-2-yl-5H-benzo[b]carbazole-6,11-dione?
The canonical SMILES for 2-butan-2-yl-5H-benzo[b]carbazole-6,11-dione is CCC(C)c1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O.
What is the InChIKey of 2-butan-2-yl-5H-benzo[b]carbazole-6,11-dione?
The InChIKey is FHGXLDJGBMHAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-3-11(2)12-8-9-16-15(10-12)17-18(21-16)20(23)14-7-5-4-6-13(14)19(17)22/h4-11,21H,3H2,1-2H3.
What are the key properties of 2-butan-2-yl-5H-benzo[b]carbazole-6,11-dione?
2-butan-2-yl-5H-benzo[b]carbazole-6,11-dione has a molecular weight of 303.36 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5H-benzo[b]carbazole-6,11-dione is sourced from PubChem (CID 164622041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).