9,9'-Hexamethylenedioxybis(o-phenyleneimino)bisacridine dihydrochloride

HCID 47993

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Basic information

CAS: 66724-90-1
Standard SMILES: [Cl-].[Cl-].c1ccc(OCCCCCCOc2ccccc2[NH2+]c2c3ccccc3nc3ccccc23)c([NH2+]c2c3ccccc3nc3ccccc23)c1
InChIKey: BDHCCQQRGLHTOH-UHFFFAOYSA-N
Molecular formula: C44H40Cl2N4O2
Average molar mass: 727.7 g/mol
Monoisotopic mass: 726.2528319

Names & identifiers

Preferred name: 9,9'-Hexamethylenedioxybis(o-phenyleneimino)bisacridine dihydrochloride
IUPAC: acridin-9-yl-[2-[6-[2-(acridin-9-ylazaniumyl)phenoxy]hexoxy]phenyl]azanium dichloride

Names & synonyms

9,9'-Hexamethylenedioxybis(o-phenyleneimino)bisacridine dihydrochloride66724-90-1ACRIDINE, 9,9'-HEXAMETHYLENEDIOXYBIS(o-PHENYLENEIMINO)BIS-, DIHYDROCHLORIDE

Database identifiers

CAS: 66724-90-1
PubChem CID: 47993

Properties

Computed structural properties

Topological polar surface area: 77.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 13
Heavy atoms: 52
Formal charge: 0
Complexity: 891

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