9-(6-chlorohexyl)carbazole

C18H20ClN — CID 63465812

IUPAC9-(6-chlorohexyl)carbazole
SMILESClCCCCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H20ClN/c19-13-7-1-2-8-14-20-17-11-5-3-9-15(17)16-10-4-6-12-18(16)20/h3-6,9-12H,1-2,7-8,13-14H2
InChIKeyHJRTUQWQKCHWRF-UHFFFAOYSA-N
MW285.82 g/mol
LogP5.59
Rot. Bonds6

About 9-(6-chlorohexyl)carbazole

9-(6-chlorohexyl)carbazole (PubChem CID 63465812) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 9-(6-chlorohexyl)carbazole.

Molecular Properties

Compound Name9-(6-chlorohexyl)carbazole
PubChem CID63465812
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name9-(6-chlorohexyl)carbazole
SMILESClCCCCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H20ClN/c19-13-7-1-2-8-14-20-17-11-5-3-9-15(17)16-10-4-6-12-18(16)20/h3-6,9-12H,1-2,7-8,13-14H2
InChIKeyHJRTUQWQKCHWRF-UHFFFAOYSA-N
XLogP5.59
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.82
LogP ≤ 55.59
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-(6-chlorohexyl)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-(6-chlorohexyl)carbazole?
The IUPAC name of 9-(6-chlorohexyl)carbazole (CID 63465812) is 9-(6-chlorohexyl)carbazole.
What is the SMILES notation for 9-(6-chlorohexyl)carbazole?
The canonical SMILES for 9-(6-chlorohexyl)carbazole is ClCCCCCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-(6-chlorohexyl)carbazole?
The InChIKey is HJRTUQWQKCHWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c19-13-7-1-2-8-14-20-17-11-5-3-9-15(17)16-10-4-6-12-18(16)20/h3-6,9-12H,1-2,7-8,13-14H2.
What are the key properties of 9-(6-chlorohexyl)carbazole?
9-(6-chlorohexyl)carbazole has a molecular weight of 285.82 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-chlorohexyl)carbazole is sourced from PubChem (CID 63465812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).