9-phenyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

• ChemBase ID: 798700
• Molecular Formular: C24H24BNO2
• Molecular Mass: 369.26386
• Monoisotopic Mass: 369.19000941
• SMILES: CC1(C)OB(OC1(C)C)c1ccc2n(c3c(cccc3)c2c1)c1ccccc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc2c(c1)c1ccccc1n2c1ccccc1
• InChI: InChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18/h5-16H,1-4H3
• InChIKey: UBASCOPZFCGGAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-phenyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
• IUPAC Traditional name: 9-phenyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
• Synonyms: 9-phenyl-9h-carbazole-3-boronic acid pinacol ester

Database IDs

• CAS Number: 1126522-69-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.0246
• LogD (pH = 7.4): 7.0246
• Log P: 7.0246
• Molar Refractivity: 118.1209 cm^3
• Polarizability: 47.228962 Å^3
• Polar Surface Area: 23.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%