Cas no 281-54-9 (Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene)
![Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene structure](https://ossimg.kuujia.com/scimg/500/281-54-9x500.png)
281-54-9 structure
Product Name:Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene Chemical and Physical Properties
Names and Identifiers
-
- Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
- Calix[4]arene
- Q27122465
- GQPLZGRPYWLBPW-UHFFFAOYSA-N
- Calix (4) arene
- 281-54-9
- Pentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene
- pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene
- DTXSID80471552
- CHEBI:51202
-
- Inchi： 1S/C28H24/c1-5-21-13-22(6-1)18-24-8-3-10-26(15-24)20-28-12-4-11-27(16-28)19-25-9-2-7-23(14-25)17-21/h1-16H,17-20H2
- InChI Key： GQPLZGRPYWLBPW-UHFFFAOYSA-N
- SMILES： C1C2C=CC=C(C=2)CC2C=CC=C(C=2)CC2C=CC=C(C=2)CC2C=CC=C1C=2
Computed Properties
- Exact Mass: 360.18792
- Monoisotopic Mass: 360.187800766g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 28
- Rotatable Bond Count: 0
- Complexity: 360
- 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: 7.7
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene Related Literature
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Rajesh Kumar,Yeon Ok Lee,Vandana Bhalla,Manoj Kumar,Jong Seung Kim Chem. Soc. Rev. 2014 43 4824
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Sangshan Peng,Qing He,Gabriela I. Vargas-Zú?iga,Lei Qin,Inhong Hwang,Sung Kuk Kim,Nam Jung Heo,Chang-Hee Lee,Ranjan Dutta,Jonathan L. Sessler Chem. Soc. Rev. 2020 49 865
281-54-9 (Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene) Related Products
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