6-bromo-1-carbazol-9-ylhexan-1-one

C18H18BrNO — CID 122483233

IUPAC6-bromo-1-carbazol-9-ylhexan-1-one
SMILESO=C(CCCCCBr)n1c2ccccc2c2ccccc21
InChIInChI=1S/C18H18BrNO/c19-13-7-1-2-12-18(21)20-16-10-5-3-8-14(16)15-9-4-6-11-17(15)20/h3-6,8-11H,1-2,7,12-13H2
InChIKeyQJYGLWBSPDPJRH-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.39
Rot. Bonds5

About 6-bromo-1-carbazol-9-ylhexan-1-one

6-bromo-1-carbazol-9-ylhexan-1-one (PubChem CID 122483233) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is 6-bromo-1-carbazol-9-ylhexan-1-one.

Molecular Properties

Compound Name6-bromo-1-carbazol-9-ylhexan-1-one
PubChem CID122483233
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name6-bromo-1-carbazol-9-ylhexan-1-one
SMILESO=C(CCCCCBr)n1c2ccccc2c2ccccc21
InChIInChI=1S/C18H18BrNO/c19-13-7-1-2-12-18(21)20-16-10-5-3-8-14(16)15-9-4-6-11-17(15)20/h3-6,8-11H,1-2,7,12-13H2
InChIKeyQJYGLWBSPDPJRH-UHFFFAOYSA-N
XLogP5.39
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-carbazol-9-ylpentan-1-one
CID 122483241
1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride
CID 122483263
6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one
CID 122483222
1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 122483255
5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one
CID 122483226
5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride
CID 122483225
1-carbazol-9-yl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-one
CID 122483254
6-bromo-1-(1,2-dimethylindol-3-yl)hexan-1-one
CID 54117287
1-(3-methoxycarbazol-9-yl)pentan-1-one
CID 153297253
5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride
CID 122483259
5-(4-bromobutyl)phenanthridin-6-one
CID 19382417
1-carbazol-9-ylethanone;ethane
CID 142183368

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-carbazol-9-ylhexan-1-one?
The IUPAC name of 6-bromo-1-carbazol-9-ylhexan-1-one (CID 122483233) is 6-bromo-1-carbazol-9-ylhexan-1-one.
What is the SMILES notation for 6-bromo-1-carbazol-9-ylhexan-1-one?
The canonical SMILES for 6-bromo-1-carbazol-9-ylhexan-1-one is O=C(CCCCCBr)n1c2ccccc2c2ccccc21.
What is the InChIKey of 6-bromo-1-carbazol-9-ylhexan-1-one?
The InChIKey is QJYGLWBSPDPJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c19-13-7-1-2-12-18(21)20-16-10-5-3-8-14(16)15-9-4-6-11-17(15)20/h3-6,8-11H,1-2,7,12-13H2.
What are the key properties of 6-bromo-1-carbazol-9-ylhexan-1-one?
6-bromo-1-carbazol-9-ylhexan-1-one has a molecular weight of 344.25 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-carbazol-9-ylhexan-1-one is sourced from PubChem (CID 122483233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).