Cas no 97600-40-3 (Calixarenes)
Calixarenes structure
Product Name:Calixarenes
CAS No:97600-40-3
MF:C56H72O12
MW:937.163698196411
CID:2690278
PubChem ID:3081771
Update Time:2025-04-21
Calixarenes Chemical and Physical Properties
Names and Identifiers
-
- DTXCID2078807
- Tetramethyl 2,2',2'',2'''-((15,35,55,75-tetra-tert-butyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,32,52,72-tetrayl)tetrakis(oxy))tetraacetate
- calix(n)arene
- Calixarene
- calix[n]arene
- Calixarenes
- Calix(n)Arenes
- methyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-methoxy-2-oxoethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetate
- calixareno
- CHEBI:51198
- 97600-40-3
- Acetic acid, 2,2',2'',2'''-((25,26,27,28-tetrakis(1,1-dimethylethyl)pentacyclo(19.3.1.1(3,7).1(9,13).1(15,19))octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,11,17,23-tetrayl)tetrakis(oxy))tetrakis-, tetramethyl ester
- 130036-26-9
- calixarenos
- calizarenos
- DTXSID20156316
- CHEBI:38097
-
- Inchi： 1S/C56H72O12/c1-53(2,3)41-21-33-17-35-23-42(54(4,5)6)25-37(50(35)66-30-46(58)62-14)19-39-27-44(56(10,11)12)28-40(52(39)68-32-48(60)64-16)20-38-26-43(55(7,8)9)24-36(51(38)67-31-47(59)63-15)18-34(22-41)49(33)65-29-45(57)61-13/h21-28H,17-20,29-32H2,1-16H3
- InChI Key： VTJUKNSKBAOEHE-UHFFFAOYSA-N
- SMILES： O(CC(=O)OC)C1C2=CC(=CC=1CC1C=C(C=C(C=1OCC(=O)OC)CC1C=C(C=C(C=1OCC(=O)OC)CC1C=C(C=C(C=1OCC(=O)OC)C2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 936.50237773Da
- Monoisotopic Mass: 936.50237773Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 68
- Rotatable Bond Count: 20
- Complexity: 1360
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 13.9
- Topological Polar Surface Area: 142?2
Calixarenes Related Literature
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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