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Substance Name: 3H-Indolium, 2-(3-(4,6-bis(4-methylphenyl)-1-(methylphenylamino)-2(1H)-pyridinylidene)-1-propen-1-yl)-1,3,3-trimethyl-, iodide (1:1)
RN: 62609-83-0
InChIKey: PALXKGOCUCYQEV-UHFFFAOYSA-M

Molecular Formula

  • C40-H40-N3.I

Molecular Weight

  • 689.677
 
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Names and Synonyms

Synonym

  • EINECS 263-630-7

Systematic Names

  • 1,3,3-Trimethyl-2-(3-(1-methylanilino-4,6-di-p-tolyl-1H-pyridin-2-ylidene)prop-1-enyl)-3H-indolium iodide
  • 3H-Indolium, 2-(3-(4,6-bis(4-methylphenyl)-1-(methylphenylamino)-2(1H)-pyridinylidene)-1-propen-1-yl)-1,3,3-trimethyl-, iodide (1:1)
  • 3H-Indolium, 2-(3-(4,6-bis(4-methylphenyl)-1-(methylphenylamino)-2(1H)-pyridinylidene)-1-propenyl)-1,3,3-trimethyl-, iodide

Registry Numbers

CAS Registry Number

  • 62609-83-0

System Generated Number

  • 0062609830

Molecular Formulas

Molecular Formula

  • C40-H40-N3.I

Molecular Formula Fragments

  • C40-H40-N3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C40H40N3.HI/c1-29-19-23-31(24-20-29)33-27-35(15-12-18-39-40(3,4)36-16-10-11-17-37(36)41(39)5)43(42(6)34-13-8-7-9-14-34)38(28-33)32-25-21-30(2)22-26-32;/h7-28H,1-6H3;1H/q+1;/p-1

InChIKey

PALXKGOCUCYQEV-UHFFFAOYSA-M

Smiles

c1cc2[N+](C)=C(\C=C/C=C3/C=C(C=C(N3N(c3ccccc3)C)c3ccc(C)cc3)c3ccc(C)cc3)C(c2cc1)(C)C.[IH-]