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147702-15-6

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Basic Information
CAS No.: 147702-15-6
Name: (R)-VAPOL
Article Data: 3
Molecular Structure:
Molecular Structure of 147702-15-6 ((R)-VAPOL)
Formula: C40H26O2
Molecular Weight: 538.645
Synonyms: 2,2'-Diphenyl-3,3'-biphenanthrene-4,4'-diol;
EINECS: 200-838-9
Density: 1.287 g/cm3
Melting Point: 185-191 °C
Boiling Point: 712.173 °C at 760 mmHg
Flash Point: 298.408 °C
Hazard Symbols: R37/38-40-41:;
Risk Codes:  Xn:;
">  Xn:;
Safety: 26-36/37/39-36/37-24/25-23
PSA: 40.46000
LogP: 12.13310
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Specification

The CAS registry number of [3,3'-Biphenanthrene]-4,4'-diol,2,2'-diphenyl- is 147702-15-6. The systematic name is 2,2'-diphenyl-3,3'-biphenanthrene-4,4'-diol. In addition, the molecular formula is C40H26O2 and the molecular weight is 538.63. What's more, it should be stored in a cool and dry place.

Physical properties about [3,3'-Biphenanthrene]-4,4'-diol,2,2'-diphenyl- are: (1)ACD/LogP: 9.42; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3107111; (8)ACD/KOC (pH 7.4): 2805978; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.777; (14)Molar Refractivity: 175.162 cm3; (15)Molar Volume: 418.61 cm3; (16)Polarizability: 69.44 ×10-24cm3; (17)Surface Tension: 61.59 dyne/cm; (18)Density: 1.287 g/cm3; (19)Flash Point: 298.408 °C; (20)Enthalpy of Vaporization: 107.837 kJ/mol; (21)Boiling Point: 712.173 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc6c7c8c(ccc7cc(c1ccccc1)c6c4c(cc3ccc2ccccc2c3c4O)c5ccccc5)cccc8
(2)InChI: InChI=1/C40H26O2/c41-39-35-29(21-19-27-15-7-9-17-31(27)35)23-33(25-11-3-1-4-12-25)37(39)38-34(26-13-5-2-6-14-26)24-30-22-20-28-16-8-10-18-32(28)36(30)40(38)42/h1-24,41-42H
(3)InChIKey: UFYXKDMLGBKHIC-UHFFFAOYAX