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Basic Information
CAS No.: 2397-01-5
Name: 2,2'-(Vinylenedi-p-phenylene)bis[5-tert-butylbenzoxazole]
Molecular Structure:
Molecular Structure of 2397-01-5 (2,2'-(Vinylenedi-p-phenylene)bis[5-tert-butylbenzoxazole])
Formula: C36H34N2O2
Molecular Weight: 526.678
Synonyms: Benzoxazole,2,2'-(vinylenedi-p-phenylene)bis[5-tert-butyl- (7CI,8CI);2,2'-(Vinylenedi-p-phenylene)bis(5-tert-butylbenzoxazole);4,4'-Bis(5-tert-butylbenzoxazol-2-yl)stilbene;
EINECS: 219-261-9
Density: 1.152g/cm3
Melting Point: 245-250 °C
Boiling Point: 627.6 °C at 760 mmHg
Flash Point: 306.7 °C
PSA: 52.06000
LogP: 10.06840
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Specification

The 2,2'-(Vinylenedi-p-phenylene)bis[5-tert-butylbenzoxazole] is an organic compound with the formula C36H34N2O2. With the CAS registry number 2397-01-5, the IUPAC name of this chemical is 5-tert-butyl-2-[4-[(E)-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole.

Physical properties about 2,2'-(Vinylenedi-p-phenylene)bis[5-tert-butylbenzoxazole] are: (1)ACD/LogP: 11.80; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 11.8; (4)ACD/LogD (pH 7.4): 11.8 ; (5)#H bond acceptors: 4; (6)#Freely Rotating Bonds: 6; (7)Polar Surface Area: 52.06 Å2; (8)Index of Refraction: 1.647; (9)Molar Refractivity: 166.07 cm3; (10)Molar Volume: 456.8 cm3; (11)Polarizability: 65.83×10-24cm3; (12)Surface Tension: 45.8 dyne/cm; (13)Density: 1.152 g/cm3; (14)Flash Point: 306.7 °C; (15)Enthalpy of Vaporization: 89.48 kJ/mol; (16)Boiling Point: 627.6 °C at 760 mmHg; (17)Vapour Pressure: 5.53E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)c1cc2nc(oc2cc1)c3ccc(cc3)C=Cc4ccc(cc4)c5nc6cc(ccc6o5)C(C)(C)C
(2)InChI: InChI=1/C36H34N2O2/c1-35(2,3)27-17-19-31-29(21-27)37-33(39-31)25-13-9-23(10-14-25)7-8-24-11-15-26(16-12-24)34-38-30-22-28(36(4,5)6)18-20-32(30)40-34/h7-22H,1-6H3
(3)InChIKey: PSVDQOKAQPGOLT-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C36H34N2O2/c1-35(2,3)27-17-19-31-29(21-27)37-33(39-31)25-13-9-23(10-14-25)7-8-24-11-15-26(16-12-24)34-38-30-22-28(36(4,5)6)18-20-32(30)40-34/h7-22H,1-6H3
(5)Std. InChIKey: PSVDQOKAQPGOLT-UHFFFAOYSA-N