2-bromo-5H-benzo[a]carbazole

C16H10BrN — CID 162373397

IUPAC2-bromo-5H-benzo[a]carbazole
SMILESBrc1ccc2c(c1)C1=Nc3ccccc3C1=CC2
InChIInChI=1S/C16H10BrN/c17-11-7-5-10-6-8-13-12-3-1-2-4-15(12)18-16(13)14(10)9-11/h1-5,7-9H,6H2
InChIKeyLOKMZMTVZGYMDZ-UHFFFAOYSA-N
MW296.17 g/mol
LogP4.52
Rot. Bonds

About 2-bromo-5H-benzo[a]carbazole

2-bromo-5H-benzo[a]carbazole (PubChem CID 162373397) has the molecular formula C16H10BrN and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-bromo-5H-benzo[a]carbazole.

Molecular Properties

Compound Name2-bromo-5H-benzo[a]carbazole
PubChem CID162373397
Molecular FormulaC16H10BrN
Molecular Weight296.17 g/mol
Exact Mass295.00
IUPAC Name2-bromo-5H-benzo[a]carbazole
SMILESBrc1ccc2c(c1)C1=Nc3ccccc3C1=CC2
InChIInChI=1S/C16H10BrN/c17-11-7-5-10-6-8-13-12-3-1-2-4-15(12)18-16(13)14(10)9-11/h1-5,7-9H,6H2
InChIKeyLOKMZMTVZGYMDZ-UHFFFAOYSA-N
XLogP4.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5H-benzo[a]carbazole?
The IUPAC name of 2-bromo-5H-benzo[a]carbazole (CID 162373397) is 2-bromo-5H-benzo[a]carbazole.
What is the SMILES notation for 2-bromo-5H-benzo[a]carbazole?
The canonical SMILES for 2-bromo-5H-benzo[a]carbazole is Brc1ccc2c(c1)C1=Nc3ccccc3C1=CC2.
What is the InChIKey of 2-bromo-5H-benzo[a]carbazole?
The InChIKey is LOKMZMTVZGYMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN/c17-11-7-5-10-6-8-13-12-3-1-2-4-15(12)18-16(13)14(10)9-11/h1-5,7-9H,6H2.
What are the key properties of 2-bromo-5H-benzo[a]carbazole?
2-bromo-5H-benzo[a]carbazole has a molecular weight of 296.17 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5H-benzo[a]carbazole is sourced from PubChem (CID 162373397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).