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

C20H25N — CID 126526957

IUPAC9-(2,2-dimethylhexan-3-yl)carbazole
SMILESCCCC(n1c2ccccc2c2ccccc21)C(C)(C)C
InChIInChI=1S/C20H25N/c1-5-10-19(20(2,3)4)21-17-13-8-6-11-15(17)16-12-7-9-14-18(16)21/h6-9,11-14,19H,5,10H2,1-4H3
InChIKeyQZDIBGGMOLMEJS-UHFFFAOYSA-N
MW279.43 g/mol
LogP6.18
Rot. Bonds3

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

9-(2,2-dimethylhexan-3-yl)carbazole (PubChem CID 126526957) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 9-(2,2-dimethylhexan-3-yl)carbazole.

Molecular Properties

Compound Name9-(2,2-dimethylhexan-3-yl)carbazole
PubChem CID126526957
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name9-(2,2-dimethylhexan-3-yl)carbazole
SMILESCCCC(n1c2ccccc2c2ccccc21)C(C)(C)C
InChIInChI=1S/C20H25N/c1-5-10-19(20(2,3)4)21-17-13-8-6-11-15(17)16-12-7-9-14-18(16)21/h6-9,11-14,19H,5,10H2,1-4H3
InChIKeyQZDIBGGMOLMEJS-UHFFFAOYSA-N
XLogP6.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(2,2-dimethylhexan-3-yl)carbazole?
The IUPAC name of 9-(2,2-dimethylhexan-3-yl)carbazole (CID 126526957) is 9-(2,2-dimethylhexan-3-yl)carbazole.
What is the SMILES notation for 9-(2,2-dimethylhexan-3-yl)carbazole?
The canonical SMILES for 9-(2,2-dimethylhexan-3-yl)carbazole is CCCC(n1c2ccccc2c2ccccc21)C(C)(C)C.
What is the InChIKey of 9-(2,2-dimethylhexan-3-yl)carbazole?
The InChIKey is QZDIBGGMOLMEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-5-10-19(20(2,3)4)21-17-13-8-6-11-15(17)16-12-7-9-14-18(16)21/h6-9,11-14,19H,5,10H2,1-4H3.
What are the key properties of 9-(2,2-dimethylhexan-3-yl)carbazole?
9-(2,2-dimethylhexan-3-yl)carbazole has a molecular weight of 279.43 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2-dimethylhexan-3-yl)carbazole is sourced from PubChem (CID 126526957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).