CAS No.119139-23-0,3,4-Di-1H-indol-3-yl-1H-pyrrole-2,5-dione Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	119139-23-0
Name:	3,4-Di-1H-indol-3-yl-1H-pyrrole-2,5-dione
Article Data:	25

Formula:	C₂₀H₁₃N₃O₂
Molecular Weight:	327.34
Synonyms:	3,4-Bis(1H-indol-3-yl)-2,5-dihydropyrrole-2,5-dione;3,4-Bis[3-indolyl]-1H-pyrrole-2,5-dione;Arcyriarubin A;bisindolylmaleimide IV;
Density:	1.486 g/cm³
Melting Point:	161 °C
Boiling Point:	690.133 °C at 760 mmHg
Flash Point:	371.179 °C
Solubility:	DMSO: soluble
Appearance:	dark red soild
PSA:	77.75000
LogP:	3.54520

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Specification

The Bisindolylmaleimide IV with the CAS number 119139-23-0 is also called 1H-Pyrrole-2,5-dione,3,4-di-1H-indol-3-yl-. The IUPAC name is 3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione. Its molecular formula is C₂₀H₁₃N₃O₂. This chemical is dark red soild.

The properties of the Bisindolylmaleimide IV are: (1)ACD/LogP: 6.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.218; (4)ACD/LogD (pH 7.4): 6.182; (5)ACD/BCF (pH 5.5): 31291.76; (6)ACD/BCF (pH 7.4): 28810.346; (7)ACD/KOC (pH 5.5): 57448.32; (8)ACD/KOC (pH 7.4): 52892.711; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 77.75 Å²; (13)Index of Refraction: 1.811; (14)Molar Refractivity: 95.092 cm³; (15)Molar Volume: 220.267 cm³; (16)Polarizability: 37.697×10^-24cm³; (17)Surface Tension: 80.363 dyne/cm; (18)Enthalpy of Vaporization: 101.145 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of 3,4-dibromo-pyrrole-2,5-dione and Indolmagnesiumjodid. This reaction needs reagent benzene at heating condition. The reaction time is 18 hours. The yield is 29%.

Uses: This chemical can react with sulfuric acid dimethyl ester to prepare 3,4-bis-(1H-indol-3-yl)-1-methyl-pyrrole-2,5-dione. This reaction needs reagent K₂CO₃ and solvent acetone at heating condition. The yield is 41%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5
(2)InChI: InChI=1/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)
(3)InChIKey: DQYBRTASHMYDJG-UHFFFAOYAC