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| CAS No.: | 3469-20-3 |
|---|---|
| Name: | 2,3-Diphenylindole |
| Molecular Structure: | |
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| Formula: | C20H15N |
| Molecular Weight: | 269.346 |
| Synonyms: | Indole,2,3-diphenyl- (6CI,7CI,8CI);2,3-Diphenyl-1H-indole;1H-Indole,2,3-diphenyl-;NSC17363; |
| EINECS: | 222-432-0 |
| Density: | 1.158 g/cm3 |
| Melting Point: | 124-126℃ |
| Boiling Point: | 451.1 °C at 760 mmHg |
| Flash Point: | 198.8 °C |
| PSA: | 15.79000 |
| LogP: | 5.50190 |
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Specification
The 2,3-Diphenylindole, with the CAS registry number 3469-20-3, is also known as 1H-Indole,2,3-diphenyl-. Its EINECS number is 222-432-0. This chemical's molecular formula is C20H15N and molecular weight is 269.34. What's more, its systematic name is 2,3-diphenyl-1H-indole.
Physical properties of 2,3-Diphenylindole are: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.97; (4)ACD/BCF (pH 5.5): 20439.04; (5)ACD/KOC (pH 5.5): 42365.68; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 4.93 Å2; (10)Index of Refraction: 1.678; (11)Molar Refractivity: 87.71 cm3; (12)Molar Volume: 232.4 cm3; (13)Surface Tension: 49.7 dyne/cm; (14)Density: 1.158 g/cm3; (15)Flash Point: 198.8 °C; (16)Enthalpy of Vaporization: 68.28 kJ/mol; (17)Boiling Point: 451.1 °C at 760 mmHg; (18)Vapour Pressure: 6.68E-08 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,2-diphenyl-ethanone phenylhydrazone at the ambient temperature. This reaction will need reagent phosphorus trichloride and solvent CH2Cl2 with the reaction time of 30 min. The yield is about 75%.
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Uses of 2,3-Diphenylindole: it can be used to produce benzoic acid-(2-benzoyl-anilide) at the temperature of 20 °C. It will need reagent m-chloroperbenzoic acid and solvent CH2Cl2 with the reaction time of 1 hour. The yield is about 95%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
(2)InChI: InChI=1S/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14,21H
(3)InChIKey: GYGKJNGSQQORRG-UHFFFAOYSA-N