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The 2-Bromo-9,10-di-1-naphthalenylanthracene, with the CAS registry number 929031-39-0, has the systematic name of anthracene, 2-bromo-9,10-di-1-naphthalenyl-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C34H21Br.
The characteristics of 2-Bromo-9,10-di-1-naphthalenylanthracene are as followings: (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)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.767; (14)Molar Refractivity: 154.49 cm3; (15)Molar Volume: 372.6 cm3; (16)Polarizability: 61.24×10-24cm3; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.367 g/cm3; (19)Flash Point: 311.3 °C; (20)Enthalpy of Vaporization: 87.56 kJ/mol; (21)Boiling Point: 612.3 °C at 760 mmHg; (22)Vapour Pressure: 2.82E-14 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc2c(c1)cccc2c3c4ccccc4c(c5c3ccc(c5)Br)c6cccc7c6cccc7
(2)InChI: InChI=1/C34H21Br/c35-24-19-20-31-32(21-24)34(28-18-8-12-23-10-2-4-14-26(23)28)30-16-6-5-15-29(30)33(31)27-17-7-11-22-9-1-3-13-25(22)27/h1-21H
(3)InChIKey: LMXOZFCNVIVYSH-UHFFFAOYAZ