5-octyl-4H-carbazole

C20H25N — CID 19384583

IUPAC5-octyl-4H-carbazole
SMILESCCCCCCCCc1cccc2c1=C1CC=CC=C1N=2
InChIInChI=1S/C20H25N/c1-2-3-4-5-6-7-11-16-12-10-15-19-20(16)17-13-8-9-14-18(17)21-19/h8-10,12,14-15H,2-7,11,13H2,1H3
InChIKeyBNSOAXPJERBARD-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.22
Rot. Bonds7

About 5-octyl-4H-carbazole

5-octyl-4H-carbazole (PubChem CID 19384583) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 5-octyl-4H-carbazole.

Molecular Properties

Compound Name5-octyl-4H-carbazole
PubChem CID19384583
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name5-octyl-4H-carbazole
SMILESCCCCCCCCc1cccc2c1=C1CC=CC=C1N=2
InChIInChI=1S/C20H25N/c1-2-3-4-5-6-7-11-16-12-10-15-19-20(16)17-13-8-9-14-18(17)21-19/h8-10,12,14-15H,2-7,11,13H2,1H3
InChIKeyBNSOAXPJERBARD-UHFFFAOYSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-octyl-4H-carbazole?
The IUPAC name of 5-octyl-4H-carbazole (CID 19384583) is 5-octyl-4H-carbazole.
What is the SMILES notation for 5-octyl-4H-carbazole?
The canonical SMILES for 5-octyl-4H-carbazole is CCCCCCCCc1cccc2c1=C1CC=CC=C1N=2.
What is the InChIKey of 5-octyl-4H-carbazole?
The InChIKey is BNSOAXPJERBARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-2-3-4-5-6-7-11-16-12-10-15-19-20(16)17-13-8-9-14-18(17)21-19/h8-10,12,14-15H,2-7,11,13H2,1H3.
What are the key properties of 5-octyl-4H-carbazole?
5-octyl-4H-carbazole has a molecular weight of 279.43 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octyl-4H-carbazole is sourced from PubChem (CID 19384583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).