9-(2,5-dimethylhexan-3-yl)carbazole

C20H25N — CID 123957864

IUPAC9-(2,5-dimethylhexan-3-yl)carbazole
SMILESCC(C)CC(C(C)C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C20H25N/c1-14(2)13-20(15(3)4)21-18-11-7-5-9-16(18)17-10-6-8-12-19(17)21/h5-12,14-15,20H,13H2,1-4H3
InChIKeyKXIDTEINZVJLFV-UHFFFAOYSA-N
MW279.43 g/mol
LogP6.04
Rot. Bonds4

About 9-(2,5-dimethylhexan-3-yl)carbazole

9-(2,5-dimethylhexan-3-yl)carbazole (PubChem CID 123957864) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 9-(2,5-dimethylhexan-3-yl)carbazole.

Molecular Properties

Compound Name9-(2,5-dimethylhexan-3-yl)carbazole
PubChem CID123957864
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name9-(2,5-dimethylhexan-3-yl)carbazole
SMILESCC(C)CC(C(C)C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C20H25N/c1-14(2)13-20(15(3)4)21-18-11-7-5-9-16(18)17-10-6-8-12-19(17)21/h5-12,14-15,20H,13H2,1-4H3
InChIKeyKXIDTEINZVJLFV-UHFFFAOYSA-N
XLogP6.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(2,2-dimethylhexan-3-yl)carbazole
CID 126526957
9-(2,5-dimethylhexan-3-yl)-3-[3-[2-(2-ethoxy-2-methylbutoxy)ethoxy]-4-methoxyphenyl]carbazole
CID 163844886
9-(1-phenylethyl)carbazole
CID 154375313
potassium;9-butan-2-ylcarbazole;methane;phosphanide;vanadium
CID 159100330
1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane
CID 162006022
9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole
CID 163822378
11-propan-2-ylbenzo[a]carbazole
CID 118058944
1-methyl-3-(4-methylpentan-2-yl)indole
CID 129132134
methane;9-(5-phenylhexan-3-yl)carbazole
CID 159846931
9-propan-2-yl-2-(9-propan-2-ylcarbazol-2-yl)carbazole
CID 170205010
ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole
CID 165044718
9-(4-methylpentyl)carbazole
CID 153073309

Frequently Asked Questions

What is the IUPAC name of 9-(2,5-dimethylhexan-3-yl)carbazole?
The IUPAC name of 9-(2,5-dimethylhexan-3-yl)carbazole (CID 123957864) is 9-(2,5-dimethylhexan-3-yl)carbazole.
What is the SMILES notation for 9-(2,5-dimethylhexan-3-yl)carbazole?
The canonical SMILES for 9-(2,5-dimethylhexan-3-yl)carbazole is CC(C)CC(C(C)C)n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-(2,5-dimethylhexan-3-yl)carbazole?
The InChIKey is KXIDTEINZVJLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-14(2)13-20(15(3)4)21-18-11-7-5-9-16(18)17-10-6-8-12-19(17)21/h5-12,14-15,20H,13H2,1-4H3.
What are the key properties of 9-(2,5-dimethylhexan-3-yl)carbazole?
9-(2,5-dimethylhexan-3-yl)carbazole has a molecular weight of 279.43 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,5-dimethylhexan-3-yl)carbazole is sourced from PubChem (CID 123957864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).