1-(naphthalen-2-ylmethyl)-1H-indole-3-carbaldehyde

• ChemBase ID: 311571
• Molecular Formular: C20H15NO
• Molecular Mass: 285.3392
• Monoisotopic Mass: 285.11536411
• SMILES: n1(cc(c2c1cccc2)C=O)Cc1cc2c(cc1)cccc2
• Canonical SMILES: O=Cc1cn(c2c1cccc2)Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C20H15NO/c22-14-18-13-21(20-8-4-3-7-19(18)20)12-15-9-10-16-5-1-2-6-17(16)11-15/h1-11,13-14H,12H2
• InChIKey: XOLTVVHOSWSNSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(naphthalen-2-ylmethyl)-1H-indole-3-carbaldehyde
• IUPAC Traditional name: 1-(naphthalen-2-ylmethyl)indole-3-carbaldehyde
• Synonyms: 1-(2-naphthylmethyl)-1H-indole-3-carbaldehyde

Database IDs

• CAS Number: 720696-45-7
• MDL Number: MFCD02629526

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.722136
• LogD (pH = 7.4): 4.722136
• Log P: 4.722136
• Molar Refractivity: 89.688 cm^3
• Polarizability: 36.505867 Å^3
• Polar Surface Area: 22.0 Å^2