Compound C42H38Cl2N6O4S2

N,N'-bis[4-(acridin-10-ium-9-ylamino)phenyl]butane-1,4-disulfonamide dichloride

CAS: 66725-15-3

Molecular Formula	`C42H38Cl2N6O4S2`
Molecular Weight	825.8 g/mol
Topological Polar Surface Area	161.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	13
Exact Mass	824.1773
Heavy Atoms	56
Complexity	1260.0

Chemical Identifiers

CAS Number	66725-15-3
SMILES	`C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)NC4=CC=C(C=C4)NS(=O)(=O)CCCCS(=O)(=O)NC5=CC=C(C=C5)NC6=C7C=CC=CC7=[NH+]C8=CC=CC=C86.[Cl-].[Cl-]`
InChIKey	`QYPHZJBBGLAYQI-UHFFFAOYSA-N`

📖 Product Overview

Compound C42H38Cl2N6O4S2 (CAS: 66725-15-3) is a chemical compound with molecular formula C42H38Cl2N6O4S2 and molecular weight 825.8 g/mol. Its IUPAC systematic name is N,N'-bis[4-(acridin-10-ium-9-ylamino)phenyl]butane-1,4-disulfonamide dichloride. Topological Polar Surface Area 161.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 10 Rotatable Bonds 13 Exact Mass 824.1773 Heavy Atoms 56 Complexity 1260.0 InChI Key: QYPHZJBBGLAYQI-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)NC4=CC=C(C=C4)NS(=O)(=O)CCCCS(=O)(=O)NC5=CC=C(C=C5)NC6=C7C=CC=CC7=[NH+]C8=CC=CC=C86.[Cl-].[Cl-].

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