Compound C42H56Br2N4S2

6-[diethyl(2-phenothiazin-10-ylethyl)azaniumyl]hexyl-diethyl-(2-phenothiazin-10-ylethyl)azanium dibromide

CAS: 63992-07-4

Molecular Formula	`C42H56Br2N4S2`
Molecular Weight	840.9 g/mol
Topological Polar Surface Area	57.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	17
Exact Mass	840.22925
Heavy Atoms	50
Complexity	821.0

Chemical Identifiers

CAS Number	63992-07-4
SMILES	`CC[N+](CC)(CCCCCC[N+](CC)(CC)CCN1C2=CC=CC=C2SC3=CC=CC=C31)CCN4C5=CC=CC=C5SC6=CC=CC=C64.[Br-].[Br-]`
InChIKey	`JPEOONAIYXUZTI-UHFFFAOYSA-L`

📖 Product Overview

Compound C42H56Br2N4S2 (CAS: 63992-07-4) is a chemical compound with molecular formula C42H56Br2N4S2 and molecular weight 840.9 g/mol. Its IUPAC systematic name is 6-[diethyl(2-phenothiazin-10-ylethyl)azaniumyl]hexyl-diethyl-(2-phenothiazin-10-ylethyl)azanium dibromide. Topological Polar Surface Area 57.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 17 Exact Mass 840.22925 Heavy Atoms 50 Complexity 821.0 InChI Key: JPEOONAIYXUZTI-UHFFFAOYSA-L. SMILES: CC[N+](CC)(CCCCCC[N+](CC)(CC)CCN1C2=CC=CC=C2SC3=CC=CC=C31)CCN4C5=CC=CC=C5SC6=CC=CC=C64.[Br-].[Br-].

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