1-benzyl-2-ethyl-4,6-diphenylpyridin-1-ium; tetrafluoroboranuide

• ChemBase ID: 95444
• Molecular Formular: C26H24BF4N
• Molecular Mass: 437.2800728
• Monoisotopic Mass: 437.19379305
• SMILES: [n+]1(c(cc(cc1c1ccccc1)c1ccccc1)CC)Cc1ccccc1.[B-](F)(F)(F)F
• Canonical SMILES: F[B-](F)(F)F.CCc1cc(cc([n+]1Cc1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H24N.BF4/c1-2-25-18-24(22-14-8-4-9-15-22)19-26(23-16-10-5-11-17-23)27(25)20-21-12-6-3-7-13-21;2-1(3,4)5/h3-19H,2,20H2,1H3;/q+1;-1
• InChIKey: KVMQQDRCWPKQAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2-ethyl-4,6-diphenylpyridin-1-ium; tetrafluoroboranuide
• IUPAC Traditional name: 1-benzyl-2-ethyl-4,6-diphenylpyridin-1-ium tetrafluoroborate
• Synonyms: 1-benzyl-2-ethyl-4,6-diphenylpyridinium tetrafluoroborate

Database IDs

• MDL Number: MFCD00204345
• PubChem SID: 162082093
• PubChem CID: 2779791

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1171868
• LogD (pH = 7.4): 2.1171868
• Log P: 2.1171868
• Molar Refractivity: 114.2869 cm^3
• Polarizability: 46.92603 Å^3
• Polar Surface Area: 3.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true