Chem
J-GLOBAL ID:200907002872532601   Nikkaji number:J2.374.300K

1,1′′-[(1β,5β)-9-Thiabicyclo[3.3.1]nonane-2α,6α-diyl]bis(4,4′-bipyridinium)

1,1′′-[(1β,5β)-9-チアビシクロ[3.3.1]ノナン-2α,6α-ジイル]ビス(4,4′-ビピリジニウム)
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C28H30[N+]4S
Molecular formula furigana: C28-H30-N4-S
Molecular weight: 454.630
InChI: InChI=1S/C28H28N4S/c1-3-27-26(32-19-11-24(12-20-32)22-7-15-30-16-8-22)2-4-28(33-27)25(1)31-17-9-23(10-18-31)21-5-13-29-14-6-21/h5-20,25-28H,1-4H2/q+2/p+2/t25-,26-,27-,28-/m1/s1
InChI key: DKIMEESKNBKHCY-BIYDSLDMSA-P
SMILES: C1C[C@H]([C@H]2CC[C@H]([C@@H]1S2)[n+]1ccc(cc1)c1cc[nH+]cc1)[n+]1ccc(cc1)c1cc[nH+]cc1
Systematic name  (3):
  • 1,1′′-[(1β,5β)-9-チアビシクロ[3.3.1]ノナン-2α,6α-ジイル]ビス(4,4′-ビピリジニウム)
  • 1-[(1R,2R,5R,6R)-6-{1λ5-[4,4'-ビピリジン]-1'-イウム-1-イリウム-1-イル}-9-チアビシクロ[3.3.1]ノナン-2-イル]-1λ5-[4,4'-ビピリジン]-1'-イウム-1-イリウム
  • 1-[(1R,2R,5R,6R)-6-{1λ5-[4,4'-bipyridin]-1'-ium-1-ylium-1-yl}-9-thiabicyclo[3.3.1]nonan-2-yl]-1λ5-[4,4'-bipyridin]-1'-ium-1-ylium
Other name (1):
  • 1,1′′-[(1β,5β)-9-Thiabicyclo[3.3.1]nonane-2α,6α-diyl]bis(4,4′-bipyridinium)
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