1-Butanaminium, N,N'-((9-oxo-9H-fluorene-2,7-diyl)bis(carbonyloxy-3,1-propanediyl))bis(N-butyl-N-methyl-, diiodide, hydrate

HCID 38894

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Basic information

CAS: 41549-91-1
Standard SMILES: CCCC[N+](C)(CCCC)CCCOC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)OCCC[N+](C)(CCCC)CCCC)ccc1-2.[I-].[I-]
InChIKey: BRLJZRCAHBULJP-UHFFFAOYSA-L
Molecular formula: C39H60I2N2O5
Average molar mass: 890.7 g/mol
Monoisotopic mass: 890.25917

Names & identifiers

Preferred name: 1-Butanaminium, N,N'-((9-oxo-9H-fluorene-2,7-diyl)bis(carbonyloxy-3,1-propanediyl))bis(N-butyl-N-methyl-, diiodide, hydrate
IUPAC: dibutyl-[3-[7-[3-[dibutyl(methyl)azaniumyl]propoxycarbonyl]-9-oxofluorene-2-carbonyl]oxypropyl]-methylazanium diiodide

Names & synonyms

41549-91-1Bis(3-dibutylaminopropyl)-9-oxofluorene-2,7-dicarboxylate dimethiodide hydrate1-Butanaminium, N,N'-((9-oxo-9H-fluorene-2,7-diyl)bis(carbonyloxy-3,1-propanediyl))bis(N-butyl-N-methyl-, diiodide, hydrateRefChem:228753DTXSID60961805N,N'-[(9-oxo-9H-fluorene-2,7-diyl)bis(carbonyloxypropane-3,1-diyl)]bis(N-butyl-N-methylbutan-1-aminium) diiodide

Database identifiers

CAS: 41549-91-1
PubChem CID: 38894
DTXSID: DTXSID60961805

Properties

Computed structural properties

Topological polar surface area: 69.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 24
Heavy atoms: 48
Formal charge: 0
Complexity: 849

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