Cas no 13073-16-0 (1,5,10,14-Tetraazatricyclo[14.2.2.27,10]docosane,7,16-diphenyl-)

1,5,10,14-Tetraazatricyclo[14.2.2.27,10]docosane,7,16-diphenyl- structure
13073-16-0 structure
Product Name:1,5,10,14-Tetraazatricyclo[14.2.2.27,10]docosane,7,16-diphenyl-
CAS No:13073-16-0
MF:C30H44N4
MW:460.697167396545
CID:173022
PubChem ID:202654
Update Time:2025-04-19

1,5,10,14-Tetraazatricyclo[14.2.2.27,10]docosane,7,16-diphenyl- Chemical and Physical Properties

Names and Identifiers

    • 1,5,10,14-Tetraazatricyclo[14.2.2.27,10]docosane,7,16-diphenyl-
    • 14,74-diphenyl-3,9-diaza-1(1,4),7(4,1)-dipiperidina-cyclododecaphane
    • 7,16-Diphenyl-1,5,10,14-tetraazatricyclo[14.2.2.27,10]docosane
    • 1,10-Difenil-3,7,12,16-tetraazatriciclo(14,2,2,2(sup 7,10))docosano [Italian]
    • DTXSID80156695
    • I.S. 3234
    • BRN 0588492
    • 1,10-Difenil-3,7,12,16-tetraazatriciclo(14,2,2,2(sup 7,10))docosano
    • 1,5,10,14-Tetraazatricyclo(14.2.2.2(sup 7,10))docosane, 7,16-diphenyl-
    • 7,16-diphenyl-1,5,10,14-tetrazatricyclo[14.2.2.27,10]docosane
    • 13073-16-0
    • 7,16-Diphenyl-1,5,10,14-tetraazatricyclo(14.2.2.2(sup 7,10))docosane
    • Inchi： 1S/C30H44N4/c1-3-9-27(10-4-1)29-13-21-33(22-14-29)19-8-18-32-26-30(28-11-5-2-6-12-28)15-23-34(24-16-30)20-7-17-31-25-29/h1-6,9-12,31-32H,7-8,13-26H2
    • InChI Key： DVGMRRFEANONDS-UHFFFAOYSA-N
    • SMILES： N12CCCNCC3(C4C=CC=CC=4)CCN(CCCNCC(C4C=CC=CC=4)(CC1)CC2)CC3

Computed Properties

  • Exact Mass: 460.35692
  • Monoisotopic Mass: 460.357
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 2
  • Complexity: 527
  • 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: 4.4
  • Topological Polar Surface Area: 30.5?2

Experimental Properties

  • Density: 1.11
  • Boiling Point: 600.4°Cat760mmHg
  • Flash Point: 325.2°C
  • Refractive Index: 1.609
  • PSA: 30.54

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