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

• ChemBase ID: 180485
• Molecular Formular: C23H14BrN3
• Molecular Mass: 412.28136
• Monoisotopic Mass: 411.03710946
• SMILES: n1c(nc(nc1c1cc2c(cc1)cccc2)c1cc2c(cc1)cccc2)Br
• Canonical SMILES: Brc1nc(nc(n1)c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C23H14BrN3/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: FPESPHZTHWOAMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164236395
• PubChem CID: 71753079

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.6491504
• LogD (pH = 7.4): 7.6491504
• Log P: 7.6491504
• Molar Refractivity: 134.3417 cm^3
• Polarizability: 46.029247 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false