3,6-dibromo-9-ethenylcarbazole

C14H9Br2N — CID 631725

IUPAC3,6-dibromo-9-ethenylcarbazole
SMILESC=Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C14H9Br2N/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17/h2-8H,1H2
InChIKeyORMIJZCMQBMNFA-UHFFFAOYSA-N
MW351.04 g/mol
LogP5.42
Rot. Bonds1

About 3,6-dibromo-9-ethenylcarbazole

3,6-dibromo-9-ethenylcarbazole (PubChem CID 631725) has the molecular formula C14H9Br2N and a molecular weight of 351.04 g/mol. Its IUPAC name is 3,6-dibromo-9-ethenylcarbazole.

Molecular Properties

Compound Name3,6-dibromo-9-ethenylcarbazole
PubChem CID631725
Molecular FormulaC14H9Br2N
Molecular Weight351.04 g/mol
Exact Mass348.91
IUPAC Name3,6-dibromo-9-ethenylcarbazole
SMILESC=Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C14H9Br2N/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17/h2-8H,1H2
InChIKeyORMIJZCMQBMNFA-UHFFFAOYSA-N
XLogP5.42
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.04
LogP ≤ 55.42
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-ethenylcarbazole?
The IUPAC name of 3,6-dibromo-9-ethenylcarbazole (CID 631725) is 3,6-dibromo-9-ethenylcarbazole.
What is the SMILES notation for 3,6-dibromo-9-ethenylcarbazole?
The canonical SMILES for 3,6-dibromo-9-ethenylcarbazole is C=Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 3,6-dibromo-9-ethenylcarbazole?
The InChIKey is ORMIJZCMQBMNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17/h2-8H,1H2.
What are the key properties of 3,6-dibromo-9-ethenylcarbazole?
3,6-dibromo-9-ethenylcarbazole has a molecular weight of 351.04 g/mol, XLogP of 5.42, 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-ethenylcarbazole is sourced from PubChem (CID 631725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).