IR 786 iodide

CAS Registry Number®

56289-67-9

CAS Name

IR 786 iodide

Molecular Formula

C32H36ClN2.I

Cite this Page

IR 786 iodide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56289-67-9 (retrieved 2024-11-21) (CAS RN: 56289-67-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H36ClN2.HI/c1-31(2)24-14-7-9-16-26(24)34(5)28(31)20-18-22-12-11-13-23(30(22)33)19-21-29-32(3,4)25-15-8-10-17-27(25)35(29)6;/h7-10,14-21H,11-13H2,1-6H3;1H/q+1;/p-1

InChIKey

InChIKey=UOKPQDRVXJDDCA-UHFFFAOYSA-M

SMILES

CN1C=2C(C(C)(C)C1=CC=C3C(Cl)=C(C=CC=4C(C)(C)C=5C([N+]4C)=CC=CC5)CCC3)=CC=CC2.[I-]

Canonical SMILES

[I-].ClC=1C(=CC=C2N(C=3C=CC=CC3C2(C)C)C)CCCC1C=CC4=[N+](C=5C=CC=CC5C4(C)C)C

Other Names for this Substance

  • 3H-Indolium, 2-[2-[2-chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-, iodide (1:1)
  • 3H-Indolium, 2-[2-[2-chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-, iodide
  • 1,1′,3,3,3′,3′-Hexamethyl-11-chloro-10,12-trimethyleneindotricarbocyanine iodide
  • IR 786 iodide
  • ADS 775MI

CAS INSIGHTSTM
Targeted protein degrader structure, illustration