5-methyl-4-octyl-4H-carbazole

C21H27N — CID 19384574

IUPAC5-methyl-4-octyl-4H-carbazole
SMILESCCCCCCCCC1C=CC=C2N=c3cccc(C)c3=C21
InChIInChI=1S/C21H27N/c1-3-4-5-6-7-8-12-17-13-10-15-19-21(17)20-16(2)11-9-14-18(20)22-19/h9-11,13-15,17H,3-8,12H2,1-2H3
InChIKeyHBHSRGSGWIEMFH-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.60
Rot. Bonds7

About 5-methyl-4-octyl-4H-carbazole

5-methyl-4-octyl-4H-carbazole (PubChem CID 19384574) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 5-methyl-4-octyl-4H-carbazole.

Molecular Properties

Compound Name5-methyl-4-octyl-4H-carbazole
PubChem CID19384574
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name5-methyl-4-octyl-4H-carbazole
SMILESCCCCCCCCC1C=CC=C2N=c3cccc(C)c3=C21
InChIInChI=1S/C21H27N/c1-3-4-5-6-7-8-12-17-13-10-15-19-21(17)20-16(2)11-9-14-18(20)22-19/h9-11,13-15,17H,3-8,12H2,1-2H3
InChIKeyHBHSRGSGWIEMFH-UHFFFAOYSA-N
XLogP4.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.60
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-methyl-4-octyl-4H-carbazole?
The IUPAC name of 5-methyl-4-octyl-4H-carbazole (CID 19384574) is 5-methyl-4-octyl-4H-carbazole.
What is the SMILES notation for 5-methyl-4-octyl-4H-carbazole?
The canonical SMILES for 5-methyl-4-octyl-4H-carbazole is CCCCCCCCC1C=CC=C2N=c3cccc(C)c3=C21.
What is the InChIKey of 5-methyl-4-octyl-4H-carbazole?
The InChIKey is HBHSRGSGWIEMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-3-4-5-6-7-8-12-17-13-10-15-19-21(17)20-16(2)11-9-14-18(20)22-19/h9-11,13-15,17H,3-8,12H2,1-2H3.
What are the key properties of 5-methyl-4-octyl-4H-carbazole?
5-methyl-4-octyl-4H-carbazole has a molecular weight of 293.45 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-octyl-4H-carbazole is sourced from PubChem (CID 19384574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).