1,2,3,4,5-PENTAPHENYL-1,3-CYCLOPENTADIENE

The Benzene,1,1',1'',1''',1''''-(1,3-cyclopentadiene-1,2,3,4,5-pentayl)pentakis- with CAS registry number of 2519-10-0 is also known as 1,2,3,4,5-Pentaphenyl-1,3-cyclopentadiene. The systematic name is 1,1',1'',1''',1''''-Cyclopenta-1,3-diene-1,2,3,4,5-pentaylpentabenzene. It belongs to product categories of Alkenes; Cyclic; Organic Building Blocks. In addition, the formula is C₃₅H₂₆ and the molecular weight is 446.58. This chemical is a light yellow crystalline powder and should be sealed in ventilated, dry place at room temperature.

Physical properties about Benzene,1,1',1'',1''',1''''-(1,3-cyclopentadiene-1,2,3,4,5-pentayl)pentakis- are: (1)ACD/LogP: 11.57; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.57; (4)ACD/LogD (pH 7.4): 11.57; (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: 5; (10)Index of Refraction: 1.666; (11)Molar Refractivity: 144.47 cm³; (12)Molar Volume: 388.1 cm³; (13)Surface Tension: 49.1 dyne/cm; (14)Density: 1.15 g/cm³; (15)Flash Point: 314 °C; (16)Enthalpy of Vaporization: 84.98 kJ/mol; (17)Boiling Point: 591.6 °C at 760 mmHg; (18)Vapour Pressure: 2.41E-13 mmHg at 25 °C.

Preparation of Benzene,1,1',1'',1''',1''''-(1,3-cyclopentadiene-1,2,3,4,5-pentayl)pentakis-: it is prepared by reaction of pentaphenyl-cyclopenta-2,4-dienol. The reaction needs reagents LiAlH₄, AlCl₃ and solvents diethyl ether, tetrahydrofuran with other condition of heating for 3 hours. The yield is about 77%.

Uses of Benzene,1,1',1'',1''',1''''-(1,3-cyclopentadiene-1,2,3,4,5-pentayl)pentakis-: it is used to produce pentaphenylcyclopentadiene lithium. The reaction occurs with reagent n-butyllithium and solvents toluene, hexane at 100 °C for 1 hour. The yield is about 90%.

You can still convert the following datas into molecular structure:
1. SMILES: c1ccc(cc1)/C/4=C(\c2ccccc2)C(C(=C\4\c3ccccc3)\c5ccccc5)c6ccccc6
2. InChI: InChI=1/C35H26/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28/h1-25,31H
3. InChIKey: YGLVWOUNCXBPJF-UHFFFAOYAV
4. Std. InChI: InChI=1S/C35H26/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28/h1-25,31H
5. Std. InChIKey: YGLVWOUNCXBPJF-UHFFFAOYSA-N