The CAS register number of 2,2'-(1,3-Phenylene)bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazole] is 138372-67-5. It also can be called as 1,3,4-oxadiazole, 2,2'-(1,3-phenylene)bis[5-[4-(1,1-dimethylethyl)phenyl]- and the systematic name about this chemical is 2,2'-benzene-1,3-diylbis[5-(4-tert-butylphenyl)-1,3,4-oxadiazole]. The molecular formula about this chemical is C30H30N4O2 and the molecular weight is 478.58. It belongs to the following product categories, such as Electronic; White Powder and so on.
Physical properties about 2,2'-(1,3-Phenylene)bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazole] are: (1)ACD/LogP: 9.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10; (4)ACD/LogD (pH 7.4): 10; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 4686055; (8)ACD/KOC (pH 7.4): 4686055; (9)#H bond acceptors: 6; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 77.84Å2; (12)Index of Refraction: 1.569; (13)Molar Refractivity: 138.359 cm3; (14)Molar Volume: 422.431 cm3; (15)Polarizability: 54.85x10-24cm3; (16)Surface Tension: 42.935 dyne/cm; (17)Enthalpy of Vaporization: 89.241 kJ/mol; (18)Boiling Point: 625.672 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)c1ccc(cc1)c2nnc(o2)c3cccc(c3)c4nnc(o4)c5ccc(cc5)C(C)(C)C
(2)InChI: InChI=1/C30H30N4O2/c1-29(2,3)23-14-10-19(11-15-23)25-31-33-27(35-25)21-8-7-9-22(18-21)28-34-32-26(36-28)20-12-16-24(17-13-20)30(4,5)6/h7-18H,1-6H3
(3)InChIKey: FQJQNLKWTRGIEB-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C30H30N4O2/c1-29(2,3)23-14-10-19(11-15-23)25-31-33-27(35-25)21-8-7-9-22(18-21)28-34-32-26(36-28)20-12-16-24(17-13-20)30(4,5)6/h7-18H,1-6H3
(5)Std. InChIKey: FQJQNLKWTRGIEB-UHFFFAOYSA-N
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