Neocyanine

CAS Registry Number®

4846-34-8

CAS Name

Neocyanine

Molecular Formula

C38H37N3.2I

Molecular Mass

789.53

Cite this Page

Neocyanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4846-34-8 (retrieved 2025-03-14) (CAS RN: 4846-34-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    273-275 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C38H37N3.2HI/c1-4-39-26-23-30(33-13-7-10-16-36(33)39)21-19-29(32-25-28-41(6-3)38-18-12-9-15-35(32)38)20-22-31-24-27-40(5-2)37-17-11-8-14-34(31)37;;/h7-28H,4-6H2,1-3H3;2*1H/q+2;;/p-2

InChIKey

InChIKey=RJOBRLLSEIIUFB-UHFFFAOYSA-L

SMILES

C(C=CC=1C2=C([N+](CC)=CC1)C=CC=C2)(=CC=C3C=4C(N(CC)C=C3)=CC=CC4)C=5C6=C([N+](CC)=CC5)C=CC=C6.[I-]

Canonical SMILES

[I-].C=1C=CC2=C(C1)C(=CC=C(C=CC3=CC=[N+](C=4C=CC=CC34)CC)C5=CC=[N+](C=6C=CC=CC56)CC)C=CN2CC

Other Names for this Substance

  • Quinolinium, 4,4′-[3-[(1-ethyl-4(1H)-quinolinylidene)ethylidene]-1-propene-1,3-diyl]bis[1-ethyl-, iodide (1:2)
  • Quinolinium, 4,4′-[3-[2-(1-ethyl-4(1H)-quinolylidene)ethylidene]propenylene]bis[1-ethyl-, diiodide
  • Quinolinium, 4,4′-[3-[(1-ethyl-4(1H)-quinolinylidene)ethylidene]-1-propene-1,3-diyl]bis[1-ethyl-, diiodide
  • Cryptocyanine OA 1
  • NK 4 (dye)

View All

Deleted or Replaced CAS Registry Numbers

37187-86-3, 40880-91-9, 858476-43-4, 188652-98-4