9-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-9H-carbazole

• ChemBase ID: 298095
• Molecular Formular: C25H26BNO2
• Molecular Mass: 383.29044
• Monoisotopic Mass: 383.20565948
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)Cn1c2ccccc2c2c1cccc2
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(cc1)Cn1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C25H26BNO2/c1-24(2)25(3,4)29-26(28-24)19-15-13-18(14-16-19)17-27-22-11-7-5-9-20(22)21-10-6-8-12-23(21)27/h5-16H,17H2,1-4H3
• InChIKey: AKZHQKVQCWCVBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-9H-carbazole
• IUPAC Traditional name: 9-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbazole
• Synonyms: 9-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]-9H-carbazole; 4-(9-Carbazolylmethyl)benzeneboronic acid pinacol ester; 4-(9-咔唑基甲基)苯硼酸频哪酯

Database IDs

• MDL Number: MFCD18827487
• PubChem SID: 180683626
• PubChem CID: 71306542

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.1195
• LogD (pH = 7.4): 7.1195
• Log P: 7.1195
• Molar Refractivity: 112.6366 cm^3
• Polarizability: 48.254192 Å^3
• Polar Surface Area: 23.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%