6-chloro-2-ethyl-9-octylcarbazole

C22H28ClN — CID 56679701

IUPAC6-chloro-2-ethyl-9-octylcarbazole
SMILESCCCCCCCCn1c2ccc(Cl)cc2c2ccc(CC)cc21
InChIInChI=1S/C22H28ClN/c1-3-5-6-7-8-9-14-24-21-13-11-18(23)16-20(21)19-12-10-17(4-2)15-22(19)24/h10-13,15-16H,3-9,14H2,1-2H3
InChIKeyBZFUHGHGMPRYNR-UHFFFAOYSA-N
MW341.93 g/mol
LogP7.37
Rot. Bonds8

About 6-chloro-2-ethyl-9-octylcarbazole

6-chloro-2-ethyl-9-octylcarbazole (PubChem CID 56679701) has the molecular formula C22H28ClN and a molecular weight of 341.93 g/mol. Its IUPAC name is 6-chloro-2-ethyl-9-octylcarbazole.

Molecular Properties

Compound Name6-chloro-2-ethyl-9-octylcarbazole
PubChem CID56679701
Molecular FormulaC22H28ClN
Molecular Weight341.93 g/mol
Exact Mass341.19
IUPAC Name6-chloro-2-ethyl-9-octylcarbazole
SMILESCCCCCCCCn1c2ccc(Cl)cc2c2ccc(CC)cc21
InChIInChI=1S/C22H28ClN/c1-3-5-6-7-8-9-14-24-21-13-11-18(23)16-20(21)19-12-10-17(4-2)15-22(19)24/h10-13,15-16H,3-9,14H2,1-2H3
InChIKeyBZFUHGHGMPRYNR-UHFFFAOYSA-N
XLogP7.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.93
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-chloro-2-ethyl-9-octylcarbazole 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 6-chloro-2-ethyl-9-octylcarbazole?
The IUPAC name of 6-chloro-2-ethyl-9-octylcarbazole (CID 56679701) is 6-chloro-2-ethyl-9-octylcarbazole.
What is the SMILES notation for 6-chloro-2-ethyl-9-octylcarbazole?
The canonical SMILES for 6-chloro-2-ethyl-9-octylcarbazole is CCCCCCCCn1c2ccc(Cl)cc2c2ccc(CC)cc21.
What is the InChIKey of 6-chloro-2-ethyl-9-octylcarbazole?
The InChIKey is BZFUHGHGMPRYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN/c1-3-5-6-7-8-9-14-24-21-13-11-18(23)16-20(21)19-12-10-17(4-2)15-22(19)24/h10-13,15-16H,3-9,14H2,1-2H3.
What are the key properties of 6-chloro-2-ethyl-9-octylcarbazole?
6-chloro-2-ethyl-9-octylcarbazole has a molecular weight of 341.93 g/mol, XLogP of 7.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-9-octylcarbazole is sourced from PubChem (CID 56679701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).