1,3,5-Tris(4-methoxyphenyl)benzene

The CAS register number of 1,3,5-Tris(4-methoxyphenyl)benzene is 7509-20-8. It also can be called as 1,1':3',1''-Terphenyl,4,4''-dimethoxy-5'-(4-methoxyphenyl)- and the IUPAC name about this chemical is 1,3,5-tris(4-methoxyphenyl)benzene. The molecular formula about this chemical is C₂₇H₂₄O₃ and molecular weight is 396.48. It belongs to the following product categories, such as Stains and Dyes; Stains & Dyes, A to; T-U-V and so on. When you are using it, please avoid contact with skin and eyes.

Physical properties about 1,3,5-Tris(4-methoxyphenyl)benzene are: (1)ACD/LogP: 7.80; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 27.69Ų; (6)Index of Refraction: 1.586; (7)Molar Refractivity: 120.06 cm³; (8)Molar Volume: 357.2 cm³; (9)Polarizability: 47.59x10^-24cm³; (10)Surface Tension: 39.7 dyne/cm; (11)Flash Point: 191 °C; (12)Enthalpy of Vaporization: 80.31 kJ/mol; (13)Boiling Point: 553.4 °C at 760 mmHg; (14)Vapour Pressure: 1E-11 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(4-methoxy-phenyl)-ethanone at heating. This reaction will need reagent TiCl₄ and solvent toluene. The yield is about 83%.

Uses of 1,3,5-Tris(4-methoxyphenyl)benzene: it can be used to produce 4,4',4''-benzene-1,3,5-triyl-tri-phenol. This reaction will need reagent BBr₃.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c4ccc(c3cc(c1ccc(OC)cc1)cc(c2ccc(OC)cc2)c3)cc4)C
(2)InChI: InChI=1/C27H24O3/c1-28-25-10-4-19(5-11-25)22-16-23(20-6-12-26(29-2)13-7-20)18-24(17-22)21-8-14-27(30-3)15-9-21/h4-18H,1-3H3
(3)InChIKey: QLHSLHOMBWKQMI-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C27H24O3/c1-28-25-10-4-19(5-11-25)22-16-23(20-6-12-26(29-2)13-7-20)18-24(17-22)21-8-14-27(30-3)15-9-21/h4-18H,1-3H3
(5)Std. InChIKey: QLHSLHOMBWKQMI-UHFFFAOYSA-N