2,6-DIPHENYL-4H-PYRAN-4-ONE

The 4H-Pyran-4-one,2,6-diphenyl-, with the CAS registry number 1029-94-3, is also known as 2,6-Diphenyl-4H-pyran-4-one. This chemical's molecular formula is C₁₇H₁₂O₂ and molecular weight is 248.28. What's more, its IUPAC name is called 2,6-Diphenylpyran-4-one. 

Physical properties about 4H-Pyran-4-one,2,6-diphenyl- are: (1)ACD/LogP: 3.719; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.72; (4)ACD/LogD (pH 7.4): 3.72; (5)ACD/BCF (pH 5.5): 394.87; (6)ACD/BCF (pH 7.4): 394.87; (7)ACD/KOC (pH 5.5): 2512.72; (8)ACD/KOC (pH 7.4): 2512.72; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 72.882 cm³; (15)Molar Volume: 204.935 cm³; (16)Polarizability: 28.893×10^-24 cm³; (17)Surface Tension: 48.77 dyne/cm; (18) Density: 1.212 g/cm³; (19)Flash Point: 227.769 °C; (20)Enthalpy of Vaporization: 73.39 kJ/mol; (21)Boiling Point: 471.201 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 4H-Pyran-4-one,2,6-diphenyl-: this chemical can be prepared by 1,5-diphenyl-pentane-1,3,5-trione. This reaction needs reagent H₂SO₄. The yield is 95 %.

Uses of 4H-Pyran-4-one,2,6-diphenyl-: it is used to produce other chemicals. For example, it can react with N-[3'-(diethylamino)phenyl]benzothiazol-2-amin to get 4-[2-(Benzo[d]thiazol-2-yl)amino-4-(diaethylamino)phenyl]-2,6-diphenylpyrilium-chlorid. The reaction occurs with reagent POCl₃ at temperature of 100 °C. The reaction time is 6 hours. The yield is 44 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\2/C=C(\O/C(c1ccccc1)=C/2)c3ccccc3
(2) InChI: InChI=1S/C17H12O2/c18-15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-12H
(3) InChIKey: UWCKXOXEYVSRSD-UHFFFAOYSA-N