1,1′,3,3,3′,3′-Hexamethylindodicarbocyanine iodide

CAS Registry Number®

36536-22-8

CAS Name

1,1′,3,3,3′,3′-Hexamethylindodicarbocyanine iodide

Molecular Formula

C27H31N2.I

Cite this Page

1,1′,3,3,3′,3′-Hexamethylindodicarbocyanine iodide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36536-22-8 (retrieved 2024-11-24) (CAS RN: 36536-22-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H31N2.HI/c1-26(2)20-14-10-12-16-22(20)28(5)24(26)18-8-7-9-19-25-27(3,4)21-15-11-13-17-23(21)29(25)6;/h7-19H,1-6H3;1H/q+1;/p-1

InChIKey

InChIKey=UANMYOBKUNUUTR-UHFFFAOYSA-M

SMILES

CC1(C)C=2C([N+](C)=C1C=CC=CC=C3N(C)C=4C(C3(C)C)=CC=CC4)=CC=CC2.[I-]

Canonical SMILES

[I-].C(=CC=C1N(C=2C=CC=CC2C1(C)C)C)C=CC3=[N+](C=4C=CC=CC4C3(C)C)C

Other Names for this Substance

  • 3H-Indolium, 2-[5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-1,3,3-trimethyl-, iodide (1:1)
  • 3H-Indolium, 2-[5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-, iodide
  • 1,3,3-Trimethyl-2-[5-(1,3,3-trimethyl-2-indolinylidene)-1,3-pentadienyl]-3H-indolium iodide
  • 1,3,3,1′,3′,3′-Hexamethylindoledicarbocyanine iodide
  • NK 529

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Deleted or Replaced CAS Registry Numbers

149370-68-3, 186311-60-4

CAS INSIGHTSTM
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