2-chloro-4,6-bis(naphthalen-2-yl)-1,3,5-triazine

• ChemBase ID: 180484
• Molecular Formular: C23H14ClN3
• Molecular Mass: 367.83036
• Monoisotopic Mass: 367.08762514
• SMILES: n1c(nc(nc1c1cc2c(cc1)cccc2)c1cc2c(cc1)cccc2)Cl
• Canonical SMILES: Clc1nc(nc(n1)c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C23H14ClN3/c24-23-26-21(19-11-9-15-5-1-3-7-17(15)13-19)25-22(27-23)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
• InChIKey: CNJJVLLNTJDXEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,6-bis(naphthalen-2-yl)-1,3,5-triazine
• IUPAC Traditional name: 2-chloro-4,6-bis(naphthalen-2-yl)-1,3,5-triazine
• Synonyms: 2-Chloro-4,6-di(naphthalen-2-yl)-1,3,5-triazine

Database IDs

• CAS Number: 1247124-77-1
• PubChem SID: 164236394
• PubChem CID: 59365884

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.4155564
• LogD (pH = 7.4): 7.415557
• Log P: 7.415557
• Molar Refractivity: 131.7428 cm^3
• Polarizability: 45.435337 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false