9H-carbazole;2,2,4-trimethylpentane

C20H27N — CID 157439850

IUPAC9H-carbazole;2,2,4-trimethylpentane
SMILESCC(C)CC(C)(C)C.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C8H18/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-7(2)6-8(3,4)5/h1-8,13H;7H,6H2,1-5H3
InChIKeyBRNPJTXCGMWJBG-UHFFFAOYSA-N
MW281.44 g/mol
LogP6.40
Rot. Bonds1

About 9H-carbazole;2,2,4-trimethylpentane

9H-carbazole;2,2,4-trimethylpentane (PubChem CID 157439850) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 9H-carbazole;2,2,4-trimethylpentane.

Molecular Properties

Compound Name9H-carbazole;2,2,4-trimethylpentane
PubChem CID157439850
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name9H-carbazole;2,2,4-trimethylpentane
SMILESCC(C)CC(C)(C)C.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C8H18/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-7(2)6-8(3,4)5/h1-8,13H;7H,6H2,1-5H3
InChIKeyBRNPJTXCGMWJBG-UHFFFAOYSA-N
XLogP6.40
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;2,2,4-trimethylpentane?
The IUPAC name of 9H-carbazole;2,2,4-trimethylpentane (CID 157439850) is 9H-carbazole;2,2,4-trimethylpentane.
What is the SMILES notation for 9H-carbazole;2,2,4-trimethylpentane?
The canonical SMILES for 9H-carbazole;2,2,4-trimethylpentane is CC(C)CC(C)(C)C.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;2,2,4-trimethylpentane?
The InChIKey is BRNPJTXCGMWJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C8H18/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-7(2)6-8(3,4)5/h1-8,13H;7H,6H2,1-5H3.
What are the key properties of 9H-carbazole;2,2,4-trimethylpentane?
9H-carbazole;2,2,4-trimethylpentane has a molecular weight of 281.44 g/mol, XLogP of 6.40, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;2,2,4-trimethylpentane is sourced from PubChem (CID 157439850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).