2-(naphthalen-2-yl)-1H-indole

• ChemBase ID: 74210
• Molecular Formular: C18H13N
• Molecular Mass: 243.30252
• Monoisotopic Mass: 243.10479942
• SMILES: [nH]1c2c(cccc2)cc1c1ccc2c(c1)cccc2
• Canonical SMILES: c1ccc2c(c1)cc(cc2)c1cc2c([nH]1)cccc2
• InChI: InChI=1S/C18H13N/c1-2-6-14-11-16(10-9-13(14)5-1)18-12-15-7-3-4-8-17(15)19-18/h1-12,19H
• InChIKey: CACDYUNTCMPDMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yl)-1H-indole
• IUPAC Traditional name: 2-(naphthalen-2-yl)-1H-indole
• Synonyms: 2-(2-Naphthyl)indole; 2-(1H-Indol-2-yl)naphthalene; 2-(Naphth-2-yl)-1H-indole; 2-(2-萘基)吲哚

Database IDs

• CAS Number: 23746-81-8
• MDL Number: MFCD00124144
• PubChem SID: 162039129
• PubChem CID: 265232

CALCULATED PROPERTIES

• Acid pKa: 15.075366
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 4.628711
• LogD (pH = 7.4): 4.628711
• Log P: 4.628711
• Molar Refractivity: 78.6084 cm^3
• Polarizability: 34.49246 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204-207°C

Safety Information

• Storage Warning: Irritant/Light Sensitive/Keep Cold/Store under Argon
• TSCA Listed: 否

Product Information

• Purity: 98%