3,6-dibromo-1-ethyl-9H-carbazole

C14H11Br2N — CID 172559525

IUPAC3,6-dibromo-1-ethyl-9H-carbazole
SMILESCCc1cc(Br)cc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C14H11Br2N/c1-2-8-5-10(16)7-12-11-6-9(15)3-4-13(11)17-14(8)12/h3-7,17H,2H2,1H3
InChIKeyIRIWACCBDAWOER-UHFFFAOYSA-N
MW353.06 g/mol
LogP5.41
Rot. Bonds1

About 3,6-dibromo-1-ethyl-9H-carbazole

3,6-dibromo-1-ethyl-9H-carbazole (PubChem CID 172559525) has the molecular formula C14H11Br2N and a molecular weight of 353.06 g/mol. Its IUPAC name is 3,6-dibromo-1-ethyl-9H-carbazole.

Molecular Properties

Compound Name3,6-dibromo-1-ethyl-9H-carbazole
PubChem CID172559525
Molecular FormulaC14H11Br2N
Molecular Weight353.06 g/mol
Exact Mass350.93
IUPAC Name3,6-dibromo-1-ethyl-9H-carbazole
SMILESCCc1cc(Br)cc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C14H11Br2N/c1-2-8-5-10(16)7-12-11-6-9(15)3-4-13(11)17-14(8)12/h3-7,17H,2H2,1H3
InChIKeyIRIWACCBDAWOER-UHFFFAOYSA-N
XLogP5.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.06
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-1-ethyl-9H-carbazole?
The IUPAC name of 3,6-dibromo-1-ethyl-9H-carbazole (CID 172559525) is 3,6-dibromo-1-ethyl-9H-carbazole.
What is the SMILES notation for 3,6-dibromo-1-ethyl-9H-carbazole?
The canonical SMILES for 3,6-dibromo-1-ethyl-9H-carbazole is CCc1cc(Br)cc2c1[nH]c1ccc(Br)cc12.
What is the InChIKey of 3,6-dibromo-1-ethyl-9H-carbazole?
The InChIKey is IRIWACCBDAWOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N/c1-2-8-5-10(16)7-12-11-6-9(15)3-4-13(11)17-14(8)12/h3-7,17H,2H2,1H3.
What are the key properties of 3,6-dibromo-1-ethyl-9H-carbazole?
3,6-dibromo-1-ethyl-9H-carbazole has a molecular weight of 353.06 g/mol, XLogP of 5.41, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-1-ethyl-9H-carbazole is sourced from PubChem (CID 172559525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).