Chem
J-GLOBAL ID：200907053360646960   Nikkaji number：J1.530.538J

Cucurubituril(8)

ククルビツリル[8]
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： C48H48N32O16
Molecular formula furigana： C48-H48-N32-O16
Molecular weight： 1329.120
InChI： InChI=1S/C48H48N32O16/c81-33-49-1-50-18-20-54(34(50)82)4-58-22-24-62(38(58)86)8-66-26-28-70(42(66)90)12-74-30-32-78(46(74)94)15-77-31-29-73(45(77)93)11-69-27-25-65(41(69)89)7-61-23-21-57(37(61)85)3-53(33)19-17(49)51-2-52(18)36(84)56(20)6-60(22)40(88)64(24)10-68(26)44(92)72(28)14-76(30)48(96)80(32)16-79(31)47(95)75(29)13-71(27)43(91)67(25)9-63(23)39(87)59(21)5-55(19)35(51)83/h17-32H,1-16H2
InChI key： CONWISUOKHSUDR-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(CN1C1C2N2CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN%22C(=O)N%23CN1C2=O)C%21=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O
Systematic name  (3)：
  • 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)ビス(1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-ヘキサデカアザシクロドトリアコンタン-2,6,10,14,18,22,26,30-オクタオン)
  • 1,4,6,8,10,12,14,16,18,20,22,24,27,29,32,35,37,39,42,44,46,48,51,53,55,57,60,62,64,66,69,71-ドトリアコンタアザペンタコサシクロ[18.13.39.14,42.116,19.118,66.124,27.129,32.139,51.148,60.157,69.02,6.03,35.08,31.010,30.012,26.014,25.037,41.040,44.046,50.049,53.055,59.058,62.064,68.067,71.022,80]オクタコンタン-5,9,13,17,21,34,38,43,47,52,56,61,65,70,78,79-ヘキサデカオン
  • 1,4,6,8,10,12,14,16,18,20,22,24,27,29,32,35,37,39,42,44,46,48,51,53,55,57,60,62,64,66,69,71-dotriacontaazapentacosacyclo[18.13.39.14,42.116,19.118,66.124,27.129,32.139,51.148,60.157,69.02,6.03,35.08,31.010,30.012,26.014,25.037,41.040,44.046,50.049,53.055,59.058,62.064,68.067,71.022,80]octacontane-5,9,13,17,21,34,38,43,47,52,56,61,65,70,78,79-hexadecone
Other name (5)：
  • 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)bis(1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaazacyclodotriacontane-2,6,10,14,18,22,26,30-octone)
  • ククルビツリル[8]
  • Cucurubituril[8]
  • Cucurbit[8]uril
  • ククルビト[8]ウリル
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