Cucurbituril
CAS Registry Number®
80262-44-8
No image available.
CAS Name
CucurbiturilMolecular Formula
C36H36N24O12Molecular Mass
996.82Cite this Page
Cucurbituril. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=80262-44-8 (retrieved ) (CAS RN: 80262-44-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
>300 °C
Source(s)
Other Names and Identifiers
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
InChIKey
InChIKey=MSBXTPRURXJCPF-UHFFFAOYSA-N
SMILES
O=C1N2C3C4N5C(=O)N3CN6C7N(C2)C(=O)N8C7N(C6=O)CN9C%10N(C8)C(=O)N%11C%10N(C9=O)CN%12C%13N(C%11)C(=O)N%14CN%15C(=O)N%16CN%17C(=O)N(CN41)C%18N(C5)C(=O)N(C%18%17)CN%19C%16C%15N(C%19=O)CN(C%12=O)C%14%13
Canonical SMILES
O=C1N2CN3C(=O)N4CN5C(=O)N6CN7C(=O)N8CN9C(=O)N%10CN%11C(=O)N%12CN1C%13N%14C(=O)N(CN%15C(=O)N(CN%16C(=O)N(CN%17C(=O)N(CN%18C(=O)N(CN%19C(=O)N(C%14)C%12C%11%19)C%10C9%18)C8C7%17)C6C5%16)C4C3%15)C2%13
Other Names for this Substance
- 1H,4H,14H,17H-2,16:3,15-Dimethano-5H,6H,7H,8H,9H,10H,11H,12H,13H,18H,19H,20H,21H,22H,23H,24H,25H,26H-2,3,4a,5a,6a,7a,8a,9a,10a,11a,12a,13a,15,16,17a,18a,19a,20a,21a,22a,23a,24a,25a,26a-tetracosaazabispentaleno[1′′′,6′′′:5′′,6′′,7′′]cycloocta[1′′,2′′,3′′:3′,4′]pentaleno[1′,6′:5,6,7]cycloocta[1,2,3-gh:1′,2′,3′-g'h′]cycloocta[1,2,3-cd:5,6,7-c'd′]dipentalene-1,4,6,8,10,12,14,17,19,21,23,25-dodecone, dodecahydro-
- Dodecahydro-1H,4H,14H,17H-2,16:3,15-dimethano-5H,6H,7H,8H,9H,10H,11H,12H,13H,18H,19H,20H,21H,22H,23H,24H,25H,26H-2,3,4a,5a,6a,7a,8a,9a,10a,11a,12a,13a,15,16,17a,18a,19a,20a,21a,22a,23a,24a,25a,26a-tetracosaazabispentaleno[1′′′,6′′′:5′′,6′′,7′′]cycloocta[1′′,2′′,3′′:3′,4′]pentaleno[1′,6′:5,6,7]cycloocta[1,2,3-gh:1′,2′,3′-g'h′]cycloocta[1,2,3-cd:5,6,7-c'd′]dipentalene-1,4,6,8,10,12,14,17,19,21,23,25-dodecone
- Cucurbituril
