The 1,2:5,6-Dibenzopyracylene, with the CAS registry number 193-43-1, is also known as 1,2:5,6-Dibenzopyracylene. It belongs to the product categories of Analytical Standards; Alphabetic; I. This chemical's molecular formula is C₂₂H₁₂ and molecular weight is 276.3307. What's more, its systematic name is Indeno[1,2,3-cd]fluoranthene.

Physical properties about 1,2:5,6-Dibenzopyracylene: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 476.45; (6)ACD/BCF (pH 7.4): 476.45; (7)ACD/KOC (pH 5.5): 2874.29; (8)ACD/KOC (pH 7.4): 2874.29; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.823; (14)Molar Refractivity: 88.39 cm³; (15)Molar Volume: 202.4 cm³; (16)Polarizability: 35.04×10^-24cm³; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 405.1 °C; (20)Enthalpy of Vaporization: 122.45 kJ/mol; (21)Boiling Point: 872.2 °C at 760 mmHg; (22)Vapour Pressure: 9.99E-30 mmHg at 25 °C.

Preparation of 1,2:5,6-Dibenzopyracylene: this chemical is prepared by reaction of Bromobenzeneboronic acid with 1,4-Dibromo-naphthalene. The reaction occurs with reagent DBU, Pd₂(dba)₃ and P(Cy)₃ and solvent Dimethylformamide at temperature of 155 °C for 48 hours. The yield is 51 %.



You can still convert the following datas into molecular structure:
(1) SMILES: C=4\C\1=C6\C(=C\2C/1=C3/C(/C=C/2)=C\5/C=C\C=C/C/5=C3C=4)\C=C/C=C6
(2) InChI: InChI=1/C22H12/c1-2-6-14-13(5-1)17-9-10-19-15-7-3-4-8-16(15)20-12-11-18(14)21(17)22(19)20/h1-12H
(3) InChIKey: XAKRHFYJDSMEMI-UHFFFAOYAV