Chem
J-GLOBAL ID：201807005221306963
Nikkaji number：J3.682.276G
1,1′′,1′′′′-(1,3,5-Benzenetriyl)tris(methylene)tris(1′-octyl-Δ4,4′(1H,1′H)-bipyridine)
1,1′′,1′′′′-(1,3,5-ベンゼントリイル)トリス(メチレン)トリス(1′-オクチル-Δ4,4′(1H,1′H)-ビピリジン)
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
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
Molecular formula： C63H84N6
Molecular formula furigana： C63-H84-N6
Molecular weight： 925.407
InChI：
InChI=1S/C63H84N6/c1-4-7-10-13-16-19-34-64-37-22-58(23-38-64)61-28-43-67(44-29-61)52-55-49-56(53-68-45-30-62(31-46-68)59-24-39-65(40-25-59)35-20-17-14-11-8-5-2)51-57(50-55)54-69-47-32-63(33-48-69)60-26-41-66(42-27-60)36-21-18-15-12-9-6-3/h22-33,37-51H,4-21,34-36,52-54H2,1-3H3
InChI key：
IVQXZGNRMVNNEW-UHFFFAOYSA-N
SMILES：
CCCCCCCCn1ccc(=c2ccn(Cc3cc(Cn4ccc(=c5ccn(CCCCCCCC)cc5)cc4)cc(Cn4ccc(=c5ccn(CCCCCCCC)cc5)cc4)c3)cc2)cc1
Systematic name (3)：
- 1,1′′,1′′′′-(1,3,5-ベンゼントリイル)トリス(メチレン)トリス(1′-オクチル-Δ4,4′(1H,1′H)-ビピリジン)
- 1-{[3,5-ビス({1'-オクチル-1H,1'H-[4,4'-ビピリジニリデン]-1-イル}メチル)フェニル]メチル}-1'-オクチル-1H,1'H-4,4'-ビピリジニリデン
- 1-{[3,5-bis({1'-octyl-1H,1'H-[4,4'-bipyridinyliden]-1-yl}methyl)phenyl]methyl}-1'-octyl-1H,1'H-4,4'-bipyridinylidene
- 1,1′′,1′′′′-(1,3,5-Benzenetriyl)tris(methylene)tris(1′-octyl-Δ4,4′(1H,1′H)-bipyridine)
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