Chem
J-GLOBAL ID：200907094127400681   Nikkaji number：J1.590.905F

Cucurbituril(5)

ククルビツリル[5]
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： C30H30N20O10
Molecular formula furigana： C30-H30-N20-O10
Molecular weight： 830.700
InChI： InChI=1S/C30H30N20O10/c51-21-31-1-32-12-14-36(22(32)52)4-40-16-18-44(26(40)56)8-48-20-19-47(29(48)59)7-43-17-15-39(25(43)55)3-35(21)13-11(31)33-2-34(12)24(54)38(14)6-42(16)28(58)46(18)10-50(20)30(60)49(19)9-45(17)27(57)41(15)5-37(13)23(33)53/h11-20H,1-10H2
InChI key： VKSVEHYLRGITRK-UHFFFAOYSA-N
SMILES： O=C1N2CN3C4C5N(CN6C7C8N(CN9C%10C%11N(CN%12C%13C%14N(CN1C1C2N2CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN1C2=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)ビス(1,3,5,7,9,11,13,15,17,19-デカアザシクロイコサン-2,6,10,14,18-ペンタオン)
  • 1,3,5,8,10,12,14,16,18,20,23,25,27,29,32,34,36,38,41,43-イコサアザヘキサデカシクロ[10.9.23.13,25.15,8.110,13.114,38.123,32.129,41.02,24.06,20.07,18.027,31.030,34.036,40.039,43.016,49]ペンタコンタン-11,15,19,22,28,33,37,42,48,50-デカオン
  • 1,3,5,8,10,12,14,16,18,20,23,25,27,29,32,34,36,38,41,43-icosaazahexadecacyclo[10.9.23.13,25.15,8.110,13.114,38.123,32.129,41.02,24.06,20.07,18.027,31.030,34.036,40.039,43.016,49]pentacontane-11,15,19,22,28,33,37,42,48,50-decone
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)bis(1,3,5,7,9,11,13,15,17,19-decaazacycloicosane-2,6,10,14,18-pentone)
  • ククルビツリル[5]
  • Cucurbit[5]uril
  • Cucurbituril[5]
  • ククルビト[5]ウリル
CAS registry number： 259886-49-2
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