Chem
J-GLOBAL ID：200907095512892672   Nikkaji number：J1.139.200H

Cucurbituril

ククルビツリル
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： C36H36N24O12
Molecular formula furigana： C36-H36-N24-O12
Molecular weight： 996.840
InChI： InChI=1S/C36H36N24O12/c61-25-37-1-38-14-16-42(26(38)62)4-46-18-20-50(30(46)66)8-54-22-24-58(34(54)70)11-57-23-21-53(33(57)69)7-49-19-17-45(29(49)65)3-41(25)15-13(37)39-2-40(14)28(64)44(16)6-48(18)32(68)52(20)10-56(22)36(72)60(24)12-59(23)35(71)55(21)9-51(19)31(67)47(17)5-43(15)27(39)63/h13-24H,1-12H2
InChI key： MSBXTPRURXJCPF-UHFFFAOYSA-N
SMILES： O=C1N2CN3C4C5N(CN6C7C8N(CN9C%10C%11N(CN%12C%13C%14N(CN%15C%16C%17N(CN1C1C2N2CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN1C2=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)ビス(1,3,5,7,9,11,13,15,17,19,21,23-ドデカアザシクロテトラコサン-2,6,10,14,18,22-ヘキサオン)
  • 1,4,6,8,10,12,14,17,19,21,24,26,28,30,33,35,37,39,42,44,46,48,51,53-テトラコサアザノナデカシクロ[10.3.39.14,24.18,11.110,48.121,33.130,42.139,51.02,6.03,17.019,23.022,26.028,32.031,35.037,41.040,44.046,50.049,53.014,60]ヘキサコンタン-5,9,13,16,20,25,29,34,38,43,47,52-ドデカオン
  • 1,4,6,8,10,12,14,17,19,21,24,26,28,30,33,35,37,39,42,44,46,48,51,53-tetracosaazanonadecacyclo[10.3.39.14,24.18,11.110,48.121,33.130,42.139,51.02,6.03,17.019,23.022,26.028,32.031,35.037,41.040,44.046,50.049,53.014,60]hexacontane-5,9,13,16,20,25,29,34,38,43,47,52-dodecone
Other name (8)：
  • 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)bis(1,3,5,7,9,11,13,15,17,19,21,23-dodecaazacyclotetracosane-2,6,10,14,18,22-hexone)
  • ククルビツリル
  • Cucurbituril
  • ククルビツリル[6]
  • Cucurbit[6]uril
Show all
CAS registry number： 80262-44-8
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