3-(9H-carbazol-3-yl)-9H-carbazole

• ChemBase ID: 798708
• Molecular Formular: C24H16N2
• Molecular Mass: 332.39724
• Monoisotopic Mass: 332.13134852
• SMILES: c1ccc2c(c1)[nH]c1ccc(cc21)c1ccc2[nH]c3c(cccc3)c2c1
• Canonical SMILES: c1ccc2c(c1)c1cc(ccc1[nH]2)c1ccc2c(c1)c1ccccc1[nH]2
• InChI: InChI=1S/C24H16N2/c1-3-7-21-17(5-1)19-13-15(9-11-23(19)25-21)16-10-12-24-20(14-16)18-6-2-4-8-22(18)26-24/h1-14,25-26H
• InChIKey: PUMOFXXLEABBTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(9H-carbazol-3-yl)-9H-carbazole
• IUPAC Traditional name: 3-(9H-carbazol-3-yl)-9H-carbazole
• Synonyms: 3,3'-bicarbazole

Database IDs

• CAS Number: 1984-49-2

CALCULATED PROPERTIES

• Acid pKa: 14.623625
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): 5.855751
• LogD (pH = 7.4): 5.855751
• Log P: 5.855751
• Molar Refractivity: 106.0226 cm^3
• Polarizability: 47.454693 Å^3
• Polar Surface Area: 31.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%