9-(1-bromooctyl)carbazole

C20H24BrN — CID 174909531

IUPAC9-(1-bromooctyl)carbazole
SMILESCCCCCCCC(Br)n1c2ccccc2c2ccccc21
InChIInChI=1S/C20H24BrN/c1-2-3-4-5-6-15-20(21)22-18-13-9-7-11-16(18)17-12-8-10-14-19(17)22/h7-14,20H,2-6,15H2,1H3
InChIKeyXKAWUQWLMLNJNY-UHFFFAOYSA-N
MW358.32 g/mol
LogP7.05
Rot. Bonds7

About 9-(1-bromooctyl)carbazole

9-(1-bromooctyl)carbazole (PubChem CID 174909531) has the molecular formula C20H24BrN and a molecular weight of 358.32 g/mol. Its IUPAC name is 9-(1-bromooctyl)carbazole.

Molecular Properties

Compound Name9-(1-bromooctyl)carbazole
PubChem CID174909531
Molecular FormulaC20H24BrN
Molecular Weight358.32 g/mol
Exact Mass357.11
IUPAC Name9-(1-bromooctyl)carbazole
SMILESCCCCCCCC(Br)n1c2ccccc2c2ccccc21
InChIInChI=1S/C20H24BrN/c1-2-3-4-5-6-15-20(21)22-18-13-9-7-11-16(18)17-12-8-10-14-19(17)22/h7-14,20H,2-6,15H2,1H3
InChIKeyXKAWUQWLMLNJNY-UHFFFAOYSA-N
XLogP7.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-(1-bromooctyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(1-bromooctyl)carbazole?
The IUPAC name of 9-(1-bromooctyl)carbazole (CID 174909531) is 9-(1-bromooctyl)carbazole.
What is the SMILES notation for 9-(1-bromooctyl)carbazole?
The canonical SMILES for 9-(1-bromooctyl)carbazole is CCCCCCCC(Br)n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-(1-bromooctyl)carbazole?
The InChIKey is XKAWUQWLMLNJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN/c1-2-3-4-5-6-15-20(21)22-18-13-9-7-11-16(18)17-12-8-10-14-19(17)22/h7-14,20H,2-6,15H2,1H3.
What are the key properties of 9-(1-bromooctyl)carbazole?
9-(1-bromooctyl)carbazole has a molecular weight of 358.32 g/mol, XLogP of 7.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-bromooctyl)carbazole is sourced from PubChem (CID 174909531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).