4-bromo-9-butan-2-ylcarbazole

C16H16BrN — CID 176624774

IUPAC4-bromo-9-butan-2-ylcarbazole
SMILESCCC(C)n1c2ccccc2c2c(Br)cccc21
InChIInChI=1S/C16H16BrN/c1-3-11(2)18-14-9-5-4-7-12(14)16-13(17)8-6-10-15(16)18/h4-11H,3H2,1-2H3
InChIKeyFGEUFVCJXJQPHT-UHFFFAOYSA-N
MW302.21 g/mol
LogP5.53
Rot. Bonds2

About 4-bromo-9-butan-2-ylcarbazole

4-bromo-9-butan-2-ylcarbazole (PubChem CID 176624774) has the molecular formula C16H16BrN and a molecular weight of 302.21 g/mol. Its IUPAC name is 4-bromo-9-butan-2-ylcarbazole.

Molecular Properties

Compound Name4-bromo-9-butan-2-ylcarbazole
PubChem CID176624774
Molecular FormulaC16H16BrN
Molecular Weight302.21 g/mol
Exact Mass301.05
IUPAC Name4-bromo-9-butan-2-ylcarbazole
SMILESCCC(C)n1c2ccccc2c2c(Br)cccc21
InChIInChI=1S/C16H16BrN/c1-3-11(2)18-14-9-5-4-7-12(14)16-13(17)8-6-10-15(16)18/h4-11H,3H2,1-2H3
InChIKeyFGEUFVCJXJQPHT-UHFFFAOYSA-N
XLogP5.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.21
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-9-butan-2-ylcarbazole?
The IUPAC name of 4-bromo-9-butan-2-ylcarbazole (CID 176624774) is 4-bromo-9-butan-2-ylcarbazole.
What is the SMILES notation for 4-bromo-9-butan-2-ylcarbazole?
The canonical SMILES for 4-bromo-9-butan-2-ylcarbazole is CCC(C)n1c2ccccc2c2c(Br)cccc21.
What is the InChIKey of 4-bromo-9-butan-2-ylcarbazole?
The InChIKey is FGEUFVCJXJQPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN/c1-3-11(2)18-14-9-5-4-7-12(14)16-13(17)8-6-10-15(16)18/h4-11H,3H2,1-2H3.
What are the key properties of 4-bromo-9-butan-2-ylcarbazole?
4-bromo-9-butan-2-ylcarbazole has a molecular weight of 302.21 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-9-butan-2-ylcarbazole is sourced from PubChem (CID 176624774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).