9-(2,2-diethoxyethyl)-9H-carbazole

• ChemBase ID: 121742
• Molecular Formular: C18H21NO2
• Molecular Mass: 283.36484
• Monoisotopic Mass: 283.15722892
• SMILES: n1(c2c(c3c1cccc3)cccc2)CC(OCC)OCC
• Canonical SMILES: CCOC(Cn1c2ccccc2c2c1cccc2)OCC
• InChI: InChI=1S/C18H21NO2/c1-3-20-18(21-4-2)13-19-16-11-7-5-9-14(16)15-10-6-8-12-17(15)19/h5-12,18H,3-4,13H2,1-2H3
• InChIKey: LKPOZQBIMXOJIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(2,2-diethoxyethyl)-9H-carbazole
• IUPAC Traditional name: 9-(2,2-diethoxyethyl)carbazole
• Synonyms: 9-(2,2-diethoxyethyl)-9H-carbazole

Database IDs

• PubChem SID: 162216095
• PubChem CID: 1880148

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2601047
• LogD (pH = 7.4): 4.2601047
• Log P: 4.2601047
• Molar Refractivity: 84.6907 cm^3
• Polarizability: 35.499866 Å^3
• Polar Surface Area: 23.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true