Cas no 13073-14-8 (5,14-Diaza-1,10-diazoniatricyclo[14.2.2.27,10]docosane,1,5,10,14-tetramethyl-7,16-diphenyl-, iodide (1:2))

5,14-Diaza-1,10-diazoniatricyclo[14.2.2.27,10]docosane,1,5,10,14-tetramethyl-7,16-diphenyl-, iodide (1:2) structure
13073-14-8 structure
Product Name:5,14-Diaza-1,10-diazoniatricyclo[14.2.2.27,10]docosane,1,5,10,14-tetramethyl-7,16-diphenyl-, iodide (1:2)
CAS No:13073-14-8
MF:C34H54I2N4
MW:772.628313541412
CID:215020
PubChem ID:202652
Update Time:2025-04-19

5,14-Diaza-1,10-diazoniatricyclo[14.2.2.27,10]docosane,1,5,10,14-tetramethyl-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,1,5,10,14-tetramethyl-7,16-diphenyl-, iodide (1:2)
    • I.S. 3345
    • 13073-14-8
    • DTXSID60926873
    • 5,14-Diaza-1,10-diazoniatricyclo(14.2.2.2(sup 7,10))docosane, 1,5,10,14-tetramethyl-7,16-diphenyl-, diiodide
    • 1,5,10,14-Tetramethyl-7,16-diphenyl-1,5,10,14-tetraazatricyclo[14.2.2.2~7,10~]docosane-1,10-diium diiodide
    • Inchi: 1S/C34H54N4.2HI/c1-35-21-11-23-37(3)27-19-34(20-28-37,32-15-9-6-10-16-32)30-36(2)22-12-24-38(4)25-17-33(29-35,18-26-38)31-13-7-5-8-14-31;;/h5-10,13-16H,11-12,17-30H2,1-4H3;2*1H/q+2;;/p-2
    • InChI Key: LGQIKBRIRFYMKI-UHFFFAOYSA-L
    • SMILES: [I-].[I-].[N+]12(C)CCCN(C)CC3(C4C=CC=CC=4)CC[N+](C)(CCCN(C)CC(C4C=CC=CC=4)(CC1)CC2)CC3

Computed Properties

  • Exact Mass: 717.8204
  • Monoisotopic Mass: 772.244
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 2
  • Complexity: 659
  • 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: 6.5?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 6.48

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

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