Cas no 24386-11-6 (Octacyclo[44.3.1.14,8.111,15.118,22.125,29.132,36.139,43]hexapentaconta-1(50),4,6,8(56),11,13,15(55),18,20,22(54),25,27,29(53),32,34,36(52),39,41,43(51),46,48-heneicosaene)

Octacyclo[44.3.1.14,8.111,15.118,22.125,29.132,36.139,43]hexapentaconta-1(50),4,6,8(56),11,13,15(55),18,20,22(54),25,27,29(53),32,34,36(52),39,41,43(51),46,48-heneicosaene structure
24386-11-6 structure
Product Name:Octacyclo[44.3.1.14,8.111,15.118,22.125,29.132,36.139,43]hexapentaconta-1(50),4,6,8(56),11,13,15(55),18,20,22(54),25,27,29(53),32,34,36(52),39,41,43(51),46,48-heneicosaene
CAS No:24386-11-6
MF:C56H56
MW:729.043855667114
CID:278816
PubChem ID:57357800
Update Time:2025-04-19

Octacyclo[44.3.1.14,8.111,15.118,22.125,29.132,36.139,43]hexapentaconta-1(50),4,6,8(56),11,13,15(55),18,20,22(54),25,27,29(53),32,34,36(52),39,41,43(51),46,48-heneicosaene Chemical and Physical Properties

Names and Identifiers

    • Octacyclo[44.3.1.14,8.111,15.118,22.125,29.132,36.139,43]hexapentaconta-1(50),4,6,8(56),11,13,15(55),18,20,22(54),25,27,29(53),32,34,36(52),39,41,43(51),46,48-heneicosaene
    • [27]Metacyclophane
    • Octacyclo[44.3.1.14,8.111,15.118,22.125,29.132,36.139,43]hexapentaconta-1(50),4,6,8(56),11,13,15(55),18,20,22(54),25,27,29(53
    • DTXSID80723866
    • 24386-11-6
    • Octacyclo[44.3.1.1~4,8~.1~11,15~.1~18,22~.1~25,29~.1~32,36~.1~39,43~]hexapentaconta-1(50),4(56),5,7,11(55),12,14,18(54),19,21,25(53),26,28,32(52),33,35,39(51),40,42,46,48-henicosaene
    • Inchi： 1S/C56H56/c1-8-43-22-24-45-10-2-12-47(37-45)26-28-49-14-4-16-51(39-49)30-32-53-18-6-20-55(41-53)34-35-56-21-7-19-54(42-56)33-31-52-17-5-15-50(40-52)29-27-48-13-3-11-46(38-48)25-23-44(9-1)36-43/h1-21,36-42H,22-35H2
    • InChI Key： WCFJEULICWVQKG-UHFFFAOYSA-N
    • SMILES： C1C2=CC=CC(=C2)CCC2=CC=CC(=C2)CCC2=CC=CC(=C2)CCC2=CC=CC(=C2)CCC2=CC=CC(=C2)CCC2=CC=CC(=C2)CCC2=CC=CC(=C2)C1

Computed Properties

  • Exact Mass: 728.43848
  • Monoisotopic Mass: 728.438201786g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 56
  • Rotatable Bond Count: 0
  • Complexity: 768
  • 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: 15.5
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0

Octacyclo[44.3.1.14,8.111,15.118,22.125,29.132,36.139,43]hexapentaconta-1(50),4,6,8(56),11,13,15(55),18,20,22(54),25,27,29(53),32,34,36(52),39,41,43(51),46,48-heneicosaene Related Literature

24386-11-6 (Octacyclo[44.3.1.14,8.111,15.118,22.125,29.132,36.139,43]hexapentaconta-1(50),4,6,8(56),11,13,15(55),18,20,22(54),25,27,29(53),32,34,36(52),39,41,43(51),46,48-heneicosaene) Related Products

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