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52598-02-4

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Basic Information
CAS No.: 52598-02-4
Name: 5-Chloro-2,3-diphenyl-1H-indole
Article Data: 20
Molecular Structure:
Molecular Structure of 52598-02-4 (5-Chloro-2,3-diphenyl-1H-indole)
Formula: C20H14ClN
Molecular Weight: 303.791
Synonyms: 5-chloro-2,3-diphenyl-1h-indole;52598-02-4;NSC76682;AC1L5OFB;AC1Q3MRS;MolPort-002-874-588;AR-1G7697;NSC-76682;ZINC04887445;AKOS005095946;6K-911;A21370
Density: 1.243 g/cm3
Melting Point: 130-131 °C(Solv: ethanol (64-17-5))
Boiling Point: 478.1 °C at 760 mmHg
Flash Point: 275.1 °C
PSA: 15.79000
LogP: 6.15530
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Specification

The CAS registry number of  5-Chloro-2,3-diphenyl-1H-indole is 52598-02-4. The IUPAC name is 5-Chloro-2,3-diphenyl-1H-indole. In addition, the formula is C20H14ClN and the molecular weight is 303.7849.

Physical properties about this chemical are: (1)ACD/LogP: 6.76; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 4.93 Å2; (7)Index of Refraction: 1.682; (8)Molar Refractivity: 92.6 cm3; (9)Molar Volume: 244.3 cm3; (10)Polarizability: 36.71 ×10-24cm3; (11)Surface Tension: 51 dyne/cm; (12)Density: 1.243 g/cm3; (13)Flash Point: 275.1 °C; (14)Enthalpy of Vaporization: 71.39 kJ/mol; (15)Boiling Point: 478.1 °C at 760 mmHg; (16)Vapour Pressure: 7.63E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(cc1)nc(c2c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C20H14ClN/c21-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(22-18)15-9-5-2-6-10-15/h1-13,22H
(3)InChIKey: BAEWCDBRAIDXMN-UHFFFAOYAE