Pigment Blue 62

CAS Registry Number®

82338-76-9

CAS Name

Pigment Blue 62

Molecular Formula

C33H40N3.1/2C6FeN6.Cu

Cite this Page

Pigment Blue 62.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82338-76-9 (retrieved 2024-12-29) (CAS RN: 82338-76-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H39N3.6CN.Cu.Fe/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;6*1-2;;/h11-24H,6-10H2,1-5H3;;;;;;;;/q;6*-1;+1;+2/p+1

InChIKey

InChIKey=FKPQLPFHTDYWFA-UHFFFAOYSA-O

SMILES

C(C=1C2=C(C(NCC)=CC1)C=CC=C2)(C3=CC=C(N(CC)CC)C=C3)=C4C=CC(=[N+](CC)CC)C=C4.[Fe+2]([C-]#N)([C-]#N)([C-]#N)([C-]#N)([C-]#N)[C-]#N.[CuH+]

Canonical SMILES

[CuH+].N#[C-][Fe+2]([C-]#N)([C-]#N)([C-]#N)([C-]#N)[C-]#N.C=1C=CC2=C(C1)C(=CC=C2C(C3=CC=C(C=C3)N(CC)CC)=C4C=CC(C=C4)=[N+](CC)CC)NCC

Other Names for this Substance

  • Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, copper(1+) (OC-6-11)-hexakis(cyano-κC)ferrate(4-) (2:2:1)
  • Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, copper(1+) (OC-6-11)-hexakis(cyano-C)ferrate(4-) (2:2:1)
  • Ferrate(4-), hexakis(cyano-C)-, (OC-6-11)-, dicopper(1+) bis[N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethylethanaminium]
  • Ferrate(4-), hexakis(cyano-κC)-, (OC-6-11)-, dicopper(1+) bis[N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethylethanaminium]
  • C.I. 42595:4

View All

Deleted or Replaced CAS Registry Numbers

57485-98-0

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