7-bromo-4aH-carbazole

C12H8BrN — CID 91738260

IUPAC7-bromo-4aH-carbazole
SMILESBrc1ccc2c(c1)N=C1C=CC=CC12
InChIInChI=1S/C12H8BrN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,9H
InChIKeyLBOMVKXIMGSMHP-UHFFFAOYSA-N
MW246.11 g/mol
LogP3.74
Rot. Bonds

About 7-bromo-4aH-carbazole

7-bromo-4aH-carbazole (PubChem CID 91738260) has the molecular formula C12H8BrN and a molecular weight of 246.11 g/mol. Its IUPAC name is 7-bromo-4aH-carbazole.

Molecular Properties

Compound Name7-bromo-4aH-carbazole
PubChem CID91738260
Molecular FormulaC12H8BrN
Molecular Weight246.11 g/mol
Exact Mass244.98
IUPAC Name7-bromo-4aH-carbazole
SMILESBrc1ccc2c(c1)N=C1C=CC=CC12
InChIInChI=1S/C12H8BrN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,9H
InChIKeyLBOMVKXIMGSMHP-UHFFFAOYSA-N
XLogP3.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Bromo-2,3,3-trimethyl-3H-indole
CID 11230141
2-[(E)-2-(4-bromophenyl)ethenyl]-3,3-dimethylindole
CID 13593039
7-bromo-2,3,3-trimethyl-3H-indole
CID 20553392
Benzhydrylidene-(3-bromo-phenyl)-amine
CID 87711164
4aH-carbazole
CID 9548748
Benzenamine, N-[1-(4-bromophenyl)ethylidene]-
CID 641181
Tetrahydro 1h carbazole
CID 13783075
6-Bromo-4a-methyl-2,3,4,4a-tetrahydro-1h-carbazole
CID 15850054
4-bromo-2,3,3-trimethyl-3H-indole
CID 67262749
Dihydro 1h carbazol
CID 129744014
1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine
CID 14913787
6-bromo-4-fluoro-1H-carbazole
CID 150142439

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4aH-carbazole?
The IUPAC name of 7-bromo-4aH-carbazole (CID 91738260) is 7-bromo-4aH-carbazole.
What is the SMILES notation for 7-bromo-4aH-carbazole?
The canonical SMILES for 7-bromo-4aH-carbazole is Brc1ccc2c(c1)N=C1C=CC=CC12.
What is the InChIKey of 7-bromo-4aH-carbazole?
The InChIKey is LBOMVKXIMGSMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,9H.
What are the key properties of 7-bromo-4aH-carbazole?
7-bromo-4aH-carbazole has a molecular weight of 246.11 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4aH-carbazole is sourced from PubChem (CID 91738260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).