3,6-dibromo-9-ethylcarbazole

C14H11Br2N — CID 631855

IUPAC3,6-dibromo-9-ethylcarbazole
SMILESCCn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C14H11Br2N/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17/h3-8H,2H2,1H3
InChIKeyGZBJRMVGNVDUCO-UHFFFAOYSA-N
MW353.06 g/mol
LogP5.34
Rot. Bonds1

About 3,6-dibromo-9-ethylcarbazole

3,6-dibromo-9-ethylcarbazole (PubChem CID 631855) has the molecular formula C14H11Br2N and a molecular weight of 353.06 g/mol. Its IUPAC name is 3,6-dibromo-9-ethylcarbazole.

Molecular Properties

Compound Name3,6-dibromo-9-ethylcarbazole
PubChem CID631855
Molecular FormulaC14H11Br2N
Molecular Weight353.06 g/mol
Exact Mass350.93
IUPAC Name3,6-dibromo-9-ethylcarbazole
SMILESCCn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C14H11Br2N/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17/h3-8H,2H2,1H3
InChIKeyGZBJRMVGNVDUCO-UHFFFAOYSA-N
XLogP5.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.06
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-ethylcarbazole?
The IUPAC name of 3,6-dibromo-9-ethylcarbazole (CID 631855) is 3,6-dibromo-9-ethylcarbazole.
What is the SMILES notation for 3,6-dibromo-9-ethylcarbazole?
The canonical SMILES for 3,6-dibromo-9-ethylcarbazole is CCn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 3,6-dibromo-9-ethylcarbazole?
The InChIKey is GZBJRMVGNVDUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17/h3-8H,2H2,1H3.
What are the key properties of 3,6-dibromo-9-ethylcarbazole?
3,6-dibromo-9-ethylcarbazole has a molecular weight of 353.06 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-ethylcarbazole is sourced from PubChem (CID 631855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).