Chem
J-GLOBAL ID:200907024655853959   Nikkaji number:J2.080.077A

Bis[1′-[7-(4′-methyl-2,2′-bipyridine-4-yl)heptyl]-4,4′-bipyridinium-1-yl] persulfide

ビス[1′-[7-(4′-メチル-2,2′-ビピリジン-4-イル)ヘプチル]-4,4′-ビピリジニウム-1-イル]ペルスルフィド
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: C56H62N4[N+]4S2
Molecular formula furigana: C56-H62-N8-S2
Molecular weight: 911.290
InChI: InChI=1S/C56H62N8S2/c1-45-15-27-57-53(41-45)55-43-47(17-29-59-55)13-9-5-3-7-11-31-61-33-19-49(20-34-61)51-23-37-63(38-24-51)65-66-64-39-25-52(26-40-64)50-21-35-62(36-22-50)32-12-8-4-6-10-14-48-18-30-60-56(44-48)54-42-46(2)16-28-58-54/h15-30,33-44H,3-14,31-32H2,1-2H3/q+4
InChI key: AXMNHTHSUJTYFU-UHFFFAOYSA-N
SMILES: Cc1ccnc(c1)c1cc(CCCCCCC[n+]2ccc(cc2)c2cc[n+](SS[n+]3ccc(cc3)c3cc[n+](CCCCCCCc4ccnc(c4)c4cc(C)ccn4)cc3)cc2)ccn1
Systematic name  (3):
  • ビス[1′-[7-(4′-メチル-2,2′-ビピリジン-4-イル)ヘプチル]-4,4′-ビピリジニウム-1-イル]ペルスルフィド
  • 1'-(7-{4'-メチル-[2,2'-ビピリジン]-4-イル}ヘプチル)-1-{[1'-(7-{4'-メチル-[2,2'-ビピリジン]-4-イル}ヘプチル)-[4,4'-ビピリジン]-1,1'-ジイウム-1-イル]ジスルファニル}-[4,4'-ビピリジン]-1,1'-ジイウム
  • 1'-(7-{4'-methyl-[2,2'-bipyridin]-4-yl}heptyl)-1-{[1'-(7-{4'-methyl-[2,2'-bipyridin]-4-yl}heptyl)-[4,4'-bipyridine]-1,1'-diium-1-yl]disulfanyl}-[4,4'-bipyridine]-1,1'-diium
Other name (1):
  • Bis[1′-[7-(4′-methyl-2,2′-bipyridine-4-yl)heptyl]-4,4′-bipyridinium-1-yl] persulfide
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