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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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).