Chem
J-GLOBAL ID：200907068028891044   Nikkaji number：J1.590.904H

Cucurbituril(7)

ククルビツリル[7]
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： C42H42N28O14
Molecular formula furigana： C42-H42-N28-O14
Molecular weight： 1162.980
InChI： InChI=1S/C42H42N28O14/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73/h15-28H,1-14H2
InChI key： ZDOBFUIMGBWEAB-UHFFFAOYSA-N
SMILES： O=C1N2CN3C4C5N(CN6C7C8N(CN9C%10C%11N(CN%12C%13C%14N(CN%15C%16C%17N(CN%18C%19C%20N(CN1C1C2N2CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN1C2=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)ビス(1,3,5,7,9,11,13,15,17,19,21,23,25,27-テトラデカアザシクロオクタコサン-2,6,10,14,18,22,26-ヘプタオン)
  • 1,4,6,8,10,12,14,16,18,20,23,26,28,30,33,35,37,39,42,44,46,48,51,53,55,57,60,62-オクタコサアザドコサシクロ[14.8.39.14,33.112,15.114,57.120,23.130,42.139,51.148,60.02,6.03,26.08,22.010,21.028,32.031,35.037,41.040,44.046,50.049,53.055,59.058,62.018,70]ヘプタコンタン-5,9,13,17,25,29,34,38,43,47,52,56,61,69-テトラデカオン
  • 1,4,6,8,10,12,14,16,18,20,23,26,28,30,33,35,37,39,42,44,46,48,51,53,55,57,60,62-octacosaazadocosacyclo[14.8.39.14,33.112,15.114,57.120,23.130,42.139,51.148,60.02,6.03,26.08,22.010,21.028,32.031,35.037,41.040,44.046,50.049,53.055,59.058,62.018,70]heptacontane-5,9,13,17,25,29,34,38,43,47,52,56,61,69-tetradecone
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)bis(1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaazacyclooctacosane-2,6,10,14,18,22,26-heptone)
  • ククルビツリル[7]
  • Cucurbit[7]uril
  • ククルビト[7]ウリル
  • Cucurbituril[7]
CAS registry number： 259886-50-5
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