1,3,6,8-tetrabromo-9H-carbazole

• ChemBase ID: 178257
• Molecular Formular: C12H5Br4N
• Molecular Mass: 482.7908
• Monoisotopic Mass: 478.71554717
• SMILES: c1c(cc2c(c1Br)[nH]c1c2cc(cc1Br)Br)Br
• Canonical SMILES: Brc1cc(Br)c2c(c1)c1cc(Br)cc(c1[nH]2)Br
• InChI: InChI=1S/C12H5Br4N/c13-5-1-7-8-2-6(14)4-10(16)12(8)17-11(7)9(15)3-5/h1-4,17H
• InChIKey: FNHISDQCWYSMTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,6,8-tetrabromo-9H-carbazole
• IUPAC Traditional name: 1,3,6,8-tetrabromo-9H-carbazole
• Synonyms: 1,3,6,8-Tetrabromo-9H-carbazole; NSC 88024; 1,3,6,8-Tetrabromocarbazole

Database IDs

• CAS Number: 55119-09-0
• PubChem SID: 164234167
• PubChem CID: 258744

CALCULATED PROPERTIES

• Acid pKa: 12.975122
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 6.1658964
• LogD (pH = 7.4): 6.165895
• Log P: 6.1658964
• Molar Refractivity: 83.9634 cm^3
• Polarizability: 34.490604 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - T291330

A 9H-carbazole derivatives as potential immunomodulating agents.

REFERENCES

• Duran-Galvan, M., et al.: Tetrahedron, 66, 7707 (2010)