Chem
J-GLOBAL ID：200907057139759135   Nikkaji number：J1.679.559C

Cucurubituril(10)

ククルビツリル[10]
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： C60H60N40O20
Molecular formula furigana： C60-H60-N40-O20
Molecular weight： 1661.400
InChI： InChI=1S/C60H60N40O20/c101-41-61-1-62-22-24-66(42(62)102)4-70-26-28-74(46(70)106)8-78-30-32-82(50(78)110)12-86-34-36-90(54(86)114)16-94-38-40-98(58(94)118)19-97-39-37-93(57(97)117)15-89-35-33-85(53(89)113)11-81-31-29-77(49(81)109)7-73-27-25-69(45(73)105)3-65(41)23-21(61)63-2-64(22)44(104)68(24)6-72(26)48(108)76(28)10-80(30)52(112)84(32)14-88(34)56(116)92(36)18-96(38)60(120)100(40)20-99(39)59(119)95(37)17-91(35)55(115)87(33)13-83(31)51(111)79(29)9-75(27)47(107)71(25)5-67(23)43(63)103/h21-40H,1-20H2
InChI key： AJJRSBHJPIUSSF-UHFFFAOYSA-N
SMILES： O=C1N2CN3C4C5N(CN6C7C8N(CN9C%10C%11N(CN%12C%13C%14N(CN%15C%16C%17N(CN%18C%19C%20N(CN%21C%22C%23N(CN%24C%25C%26N(CN%27C%28C%29N(CN1C1C2N2CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN%22C(=O)N%23CN%25C(=O)N%26CN%28C(=O)N%29CN1C2=O)C%27=O)C%24=O)C%21=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O
Systematic name  (4)：
  • 1,1′,3,3′-(1,1,2,2-エタンテトライル)-5,5′,7,7′-(1,1,2,2-エタンテトライル)-9,9′,11,11′-(1,1,2,2-エタンテトライル)-13,13′,15,15′-(1,1,2,2-エタンテトライル)-17,17′,19,19′-(1,1,2,2-エタンテトライル)-21,21′,23,23′-(1,1,2,2-エタンテトライル)-25,25′,27,27′-(1,1,2,2-エタンテトライル)-29,29′,31,31′-(1,1,2,2-エタンテトライル)-33,33′,35,35′-(1,1,2,2-エタンテトライル)-37,37′,39,39′-(1,1,2,2-エタンテトライル)ビス(1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-イコサアザシクロテトラコンタン-2,6,10,14,18,22,26,30,34,38-デカオン)
  • 1,3,1′,3′-(エタン-1,2,1,2-テトライル)-5,7,5′,7′-(エタン-1,2,1,2-テトライル)-9,11,9′,11′-(エタン-1,2,1,2-テトライル)-13,15,13′,15′-(エタン-1,2,1,2-テトライル)-17,19,17′,19′-(エタン-1,2,1,2-テトライル)-21,23,21′,23′-(エタン-1,2,1,2-テトライル)-25,27,25′,27′-(エタン-1,2,1,2-テトライル)-29,31,29′,31′-(エタン-1,2,1,2-テトライル)-33,35,33′,35′-(エタン-1,2,1,2-テトライル)-37,39,37′,39′-(エタン-1,2,1,2-テトライル)ビス(1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-イコサアザシクロテトラコンタン-2,6,10,14,18,22,26,30,34,38-デカオン)
  • 1,3,5,8,10,12,14,16,18,20,22,25,27,29,32,34,36,38,41,43,45,47,50,52,54,56,59,61,63,65,68,70,72,74,77,79,81,83,86,88-テトラコンタアザヘントリアコンタシクロ[14.14.59.13,34.15,8.114,17.118,83.122,25.132,41.138,50.147,59.156,68.165,77.174,86.02,33.06,29.07,27.010,24.012,23.036,40.039,43.045,49.048,52.054,58.057,61.063,67.066,70.072,76.075,79.081,85.084,88.020,99]100n-11,15,19,28,31,37,42,46,51,55,60,64,69,73,78,82,87,97,98,100-イコサオン
  • 1,3,5,8,10,12,14,16,18,20,22,25,27,29,32,34,36,38,41,43,45,47,50,52,54,56,59,61,63,65,68,70,72,74,77,79,81,83,86,88-tetracontaazahentriacontacyclo[14.14.59.13,34.15,8.114,17.118,83.122,25.132,41.138,50.147,59.156,68.165,77.174,86.02,33.06,29.07,27.010,24.012,23.036,40.039,43.045,49.048,52.054,58.057,61.063,67.066,70.072,76.075,79.081,85.084,88.020,99]100n-11,15,19,28,31,37,42,46,51,55,60,64,69,73,78,82,87,97,98,100-icosone
Other name (6)：
  • 1,1′,3,3′-(1,1,2,2-Ethanetetryl)-5,5′,7,7′-(1,1,2,2-ethanetetryl)-9,9′,11,11′-(1,1,2,2-ethanetetryl)-13,13′,15,15′-(1,1,2,2-ethanetetryl)-17,17′,19,19′-(1,1,2,2-ethanetetryl)-21,21′,23,23′-(1,1,2,2-ethanetetryl)-25,25′,27,27′-(1,1,2,2-ethanetetryl)-29,29′,31,31′-(1,1,2,2-ethanetetryl)-33,33′,35,35′-(1,1,2,2-ethanetetryl)-37,37′,39,39′-(1,1,2,2-ethanetetryl)bis(1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaazacyclotetracontane-2,6,10,14,18,22,26,30,34,38-decone)
  • ククルビツリル[10]
  • Cucurubituril[10]
  • 1,3,1′,3′-(Ethane-1,2,1,2-tetryl)-5,7,5′,7′-(ethane-1,2,1,2-tetryl)-9,11,9′,11′-(ethane-1,2,1,2-tetryl)-13,15,13′,15′-(ethane-1,2,1,2-tetryl)-17,19,17′,19′-(ethane-1,2,1,2-tetryl)-21,23,21′,23′-(ethane-1,2,1,2-tetryl)-25,27,25′,27′-(ethane-1,2,1,2-tetryl)-29,31,29′,31′-(ethane-1,2,1,2-tetryl)-33,35,33′,35′-(ethane-1,2,1,2-tetryl)-37,39,37′,39′-(ethane-1,2,1,2-tetryl)bis(1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaazacyclotetracontane-2,6,10,14,18,22,26,30,34,38-decone)
  • ククルビト[10]ウリル
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