Chem
J-GLOBAL ID:200907043118803206   Nikkaji number:J2.649.267J

1,1′-[5-(5,5-Dimethyl-1,3-dioxane-2-yl)-1,3-phenylene]-4,4′-[1,10-phenanthroline-2,9-diylbis(1,4-phenylene)bis(1,4,7,10-tetraoxaundecane-1,11-diyl)]bis(1H-1,2,3-triazole)

1,1′-[5-(5,5-ジメチル-1,3-ジオキサン-2-イル)-1,3-フェニレン]-4,4′-[1,10-フェナントロリン-2,9-ジイルビス(1,4-フェニレン)ビス(1,4,7,10-テトラオキサウンデカン-1,11-ジイル)]ビス(1H-1,2,3-トリアゾール)
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: C54H58N8O10
Molecular formula furigana: C54-H58-N8-O10
Molecular weight: 979.104
InChI: InChI=1S/C54H58N8O10/c1-54(2)36-71-53(72-37-54)42-29-45-31-46(30-42)62-33-44(58-60-62)35-68-24-22-64-18-20-66-26-28-70-48-13-7-39(8-14-48)50-16-10-41-4-3-40-9-15-49(55-51(40)52(41)56-50)38-5-11-47(12-6-38)69-27-25-65-19-17-63-21-23-67-34-43-32-61(45)59-57-43/h3-16,29-33,53H,17-28,34-37H2,1-2H3
InChI key: SBQMCKUMPGMSRN-UHFFFAOYSA-N
SMILES: CC1(C)COC(OC1)c1cc2cc(c1)n1cc(COCCOCCOCCOc3ccc(cc3)c3ccc4ccc5ccc(nc5c4n3)c3ccc(OCCOCCOCCOCc4cn2nn4)cc3)nn1
Systematic name  (3):
  • 1,1′-[5-(5,5-ジメチル-1,3-ジオキサン-2-イル)-1,3-フェニレン]-4,4′-[1,10-フェナントロリン-2,9-ジイルビス(1,4-フェニレン)ビス(1,4,7,10-テトラオキサウンデカン-1,11-ジイル)]ビス(1H-1,2,3-トリアゾール)
  • 23-(5,5-ジメチル-1,3-ジオキサン-2-イル)-6,9,12,15,31,34,37,40-オクタオキサ-18,19,20,26,27,28,54,57-オクタアザノナシクロ[43.8.4.22,5.241,44.117,20.121,25.126,29.048,56.051,55]テトラヘキサコンタ-1(53),2,4,17(62),18,21,23,25(61),27,29(60),41,43,45,47,49,51,54,56,58,63-イコサエン
  • 23-(5,5-dimethyl-1,3-dioxan-2-yl)-6,9,12,15,31,34,37,40-octaoxa-18,19,20,26,27,28,54,57-octaazanonacyclo[43.8.4.22,5.241,44.117,20.121,25.126,29.048,56.051,55]tetrahexaconta-1(53),2,4,17(62),18,21,23,25(61),27,29(60),41,43,45,47,49,51,54,56,58,63-icosaene
Other name (1):
  • 1,1′-[5-(5,5-Dimethyl-1,3-dioxane-2-yl)-1,3-phenylene]-4,4′-[1,10-phenanthroline-2,9-diylbis(1,4-phenylene)bis(1,4,7,10-tetraoxaundecane-1,11-diyl)]bis(1H-1,2,3-triazole)
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