Cas no 40957-95-7 (3H-Indolium,2-[3-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-1-octadecyl-)

3H-Indolium,2-[3-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-1-octadecyl- structure
40957-95-7 structure
Product Name:3H-Indolium,2-[3-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-1-octadecyl-
CAS No:40957-95-7
MF:C59H97N2
MW:834.414897680283
CID:329446
PubChem ID:5485196
Update Time:2025-04-19

3H-Indolium,2-[3-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-1-octadecyl- Chemical and Physical Properties

Names and Identifiers

    • 3H-Indolium,2-[3-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-1-octadecyl-
    • 2-[3-(3,3-Dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)-1- propen-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium
    • 3,3'-dioctadecylindocarbocyanine
    • DiI cpd
    • 3,3'-Dioctadecylindocarbocyanine iodide
    • 1,1'-Dotic
    • 2-(3-(1,3-Dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1-propenyl)-3,3-dimethyl-1-octadecyl-3H-indolium
    • 2-[(E)-3-(3,3-dimethyl-1-octadecylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-octadecylindole
    • 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine
    • 1,1-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate
    • Diic(18)
    • DiI C18(5)
    • 3,3'-Dii
    • 40957-95-7
    • 3H-Indolium, 2-(3-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1-propenyl)-3,3-dimethyl-1-octadecyl-
    • Inchi： 1S/C59H97N2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-50-60-54-46-39-37-44-52(54)58(3,4)56(60)48-43-49-57-59(5,6)53-45-38-40-47-55(53)61(57)51-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h37-40,43-49H,7-36,41-42,50-51H2,1-6H3/q+1
    • InChI Key： IJRJBQGVWNVZSA-UHFFFAOYSA-N
    • SMILES： [N+]1(CCCCCCCCCCCCCCCCCC)C2C=CC=CC=2C(C)(C)C=1/C=C/C=C1C(C)(C)C2C=CC=CC=2N1CCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 833.765
  • Monoisotopic Mass: 833.765
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 61
  • Rotatable Bond Count: 36
  • Complexity: 1110
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 6.2A^2
  • XLogP3: 23.2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 6.25000
  • LogP: 18.84750

3H-Indolium,2-[3-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-1-octadecyl- Related Literature

40957-95-7 (3H-Indolium,2-[3-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-1-octadecyl-) Related Products

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