HEXAPHENYLBENZENE

The Hexaphenylbenzene, with the CAS registry number 992-04-1, is also known as 3',4',5',6'-Tetraphenyl-o-terphenyl. It belongs to the product categories of Arenes; Building Blocks; Organic Building Blocks. Its EINECS registry number is 213-591-7. This chemical's molecular formula is C₄₂H₃₀ and molecular weight is 534.69. Its IUPAC name is called 1,2,3,4,5,6-hexakis-phenylbenzene. When you are using this chemical, please be cautious about it. You must avoid contact with skin and eyes.

Physical properties of Hexaphenylbenzene: (1)ACD/LogP: 11.43; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 11.43; (4)ACD/LogD (pH 7.4): 11.43; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.642; (11)Molar Refractivity: 173.8 cm³; (12)Molar Volume: 481.1 cm³; (13)Surface Tension: 45.1 dyne/cm; (14)Density: 1.111 g/cm³; (15)Flash Point: 284 °C; (16)Enthalpy of Vaporization: 78.07 kJ/mol; (17)Boiling Point: 534.8 °C at 760 mmHg; (18)Vapour Pressure: 5.64E-11 mmHg at 25°C.

Preparation of Hexaphenylbenzene: this chemical may be prepared through a Diels-Alder reaction by refluxing tetraphenylcyclopentadienone and diphenylacetylene in benzophenone or other high-temperature solvent.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
(2)InChI: InChI=1S/C42H30/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33/h1-30H
(3)InChIKey: QBHWPVJPWQGYDS-UHFFFAOYSA-N