Cas no 13073-13-7 (5,14-Diaza-1,10-diazoniatricyclo[14.2.2.27,10]docosane,1,10-dimethyl-7,16-diphenyl-, iodide (1:2))

5,14-Diaza-1,10-diazoniatricyclo[14.2.2.27,10]docosane,1,10-dimethyl-7,16-diphenyl-, iodide (1:2) structure
13073-13-7 structure
Product Name:5,14-Diaza-1,10-diazoniatricyclo[14.2.2.27,10]docosane,1,10-dimethyl-7,16-diphenyl-, iodide (1:2)
CAS No:13073-13-7
MF:C32H50I2N4
MW:744.575152873993
CID:205416
PubChem ID:202650
Update Time:2025-04-19

5,14-Diaza-1,10-diazoniatricyclo[14.2.2.27,10]docosane,1,10-dimethyl-7,16-diphenyl-, iodide (1:2) Chemical and Physical Properties

Names and Identifiers

    • 5,14-Diaza-1,10-diazoniatricyclo[14.2.2.27,10]docosane,1,10-dimethyl-7,16-diphenyl-, iodide (1:2)
    • I.S. 3361
    • 13073-13-7
    • DTXSID00926872
    • 1,10-Difenil-3,7,12,16-tetraazatriciclo(14,2,2,2(sup 7,10))docosano-7,16-diiodometilato
    • 1,10-Dimethyl-7,16-diphenyl-1,5,10,14-tetraazatricyclo[14.2.2.2~7,10~]docosane-1,10-diium diiodide
    • 5,14-Diaza-1,10-diazoniatricyclo(14.2.2.2(sup 7,10))docosane, 1,10-dimethyl-7,16-diphenyl-, diiodide
    • Inchi： 1S/C32H50N4.2HI/c1-35-21-9-19-33-28-32(30-13-7-4-8-14-30)17-25-36(2,26-18-32)22-10-20-34-27-31(15-23-35,16-24-35)29-11-5-3-6-12-29;;/h3-8,11-14,33-34H,9-10,15-28H2,1-2H3;2*1H/q+2;;/p-2
    • InChI Key： VFEDYHNAHDVLPH-UHFFFAOYSA-L
    • SMILES： [I-].[I-].[N+]12(C)CCCNCC3(C4C=CC=CC=4)CC[N+](C)(CCCNCC(C4C=CC=CC=4)(CC1)CC2)CC3

Computed Properties

  • Exact Mass: 693.8204
  • Monoisotopic Mass: 744.21249g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 2
  • Complexity: 604
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 24.1?2

Experimental Properties

  • PSA: 28.2

5,14-Diaza-1,10-diazoniatricyclo[14.2.2.27,10]docosane,1,10-dimethyl-7,16-diphenyl-, iodide (1:2) Related Literature

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