Chemical Compound

DiR iodide

CAS Registry Number100068-60-8
DiR iodide chemical structure
Primary record

DiR iodide

CAS
100068-60-8
PubChem CID
25195411
SMILES
CCCCCCCCCCCCCCCCCCN\1C2=CC=CC=C2C(/C1=C\C=C\C=C\C=C\C3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCCCCCC)(C)C.[I-]
Molecular Formula
C63H101IN2
Molecular Weight
1013.419
Exact Mass
1012.7009
InChI
InChI=1S/C63H101N2.HI/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-46-54-64-58-50-44-42-48-56(58)62(3,4)60(64)52-40-36-35-37-41-53-61-63(5,6)57-49-43-45-51-59(57)65(61)55-47-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;/h35-37,40-45,48-53H,7-34,38-39,46-47,54-55H2,1-6H3;1H/q+1;/p-1
InChIKey
JLIOTPLALDYAEH-UHFFFAOYSA-M
LogP
16.9401
TPSA
6.25

Names and synonyms

  • DiR iodide
  • diIC18(7) dye
  • Cy7 DiC18
  • RefChem:1083639
  • CHEBI:52033
  • SCHEMBL29377039
  • 100068-60-8
  • EX-A7037
  • HY-D1048
  • AKOS027339779
  • AKOS037647903
  • AC-37965
  • AS-75221
  • BP-42020
  • PD158033
  • CS-0100553
  • F12144
  • Q27123116
  • (2E)-2-[(2E,4E,6E)-7-(3,3-dimethyl-1-octadecylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-octadecylindole;iodide
  • 1,1'-dioctadecyl-3,3,3',3'-tetramethylindotricarbocyanine iodide
  • 2-(7-(3,3-Dimethyl-1-octadecylindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-1-octadecyl-3H-indol-1-ium iodide
  • 3H-Indolium, 2-[7-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-3,3-dimethyl-1-octadecyl-, iodide (1:1)
  • DIR
  • 1,1-DIOCTADECYL-3,3,3,3-TETRAMETHYLINDOTRICARBOCYANINE IODIDE
  • 2-(7-(3,3-Dimethyl-1-octadecylindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-1-octadecyl-3H-indol-1-iumiodide
  • 2-[7-(3,3-dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)hepta-1,3,5-trien-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium iodide
  • 2-[7-(3,3-dimethyl-1-octadecyl-2,3-dihydro-1H-indol-2-ylidene)hepta-1,3,5-trien-1-yl]-3,3-dimethyl-1-octadecyl-3H-indol-1-ium iodide