Cas no 140648-15-3 (1,3,3-Trimethyl-2-((E)-2-(3-(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene-1-cyclohexen-1-yl)ethenyl)-3H-indoliumiodide)

1,3,3-Trimethyl-2-((E)-2-(3-(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene-1-cyclohexen-1-yl)ethenyl)-3H-indoliumiodide structure
140648-15-3 structure
Product Name:1,3,3-Trimethyl-2-((E)-2-(3-(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene-1-cyclohexen-1-yl)ethenyl)-3H-indoliumiodide
CAS No:140648-15-3
MF:C32H37IN2
MW:576.554060697556
CID:102061
PubChem ID:53401020
Update Time:2025-04-18

1,3,3-Trimethyl-2-((E)-2-(3-(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene-1-cyclohexen-1-yl)ethenyl)-3H-indoliumiodide Chemical and Physical Properties

Names and Identifiers

    • 3H-Indolium,2-[2-[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)
    • 1,3,3-trimethyl-2-[2-[3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indole,iodide
    • 3H-Indolium,2-[2-[3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexe...
    • 3H-Indolium,2-[2-[3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl
    • 2-[2-[3-[(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM IODIDE
    • 3H-Indolium,2-[2-[3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-,iodide (9CI)
    • 140648-15-3
    • 1,3,3-TRIMETHYL-2-((E)-2-(3-[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYC
    • 1,3,3-Trimethyl-2-(2-{3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-3H-indol-1-ium iodide
    • DTXSID00694761
    • 1,3,3-trimethyl-2-[2-[3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indole;iodide
    • 1,3,3-Trimethyl-2-((E)-2-(3-(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene-1-cyclohexen-1-yl)ethenyl)-3H-indoliumiodide
    • Inchi: 1S/C32H37N2.HI/c1-31(2)25-14-7-9-16-27(25)33(5)29(31)20-18-23-12-11-13-24(22-23)19-21-30-32(3,4)26-15-8-10-17-28(26)34(30)6;/h7-10,14-22H,11-13H2,1-6H3;1H/q+1;/p-1
    • InChI Key: BIQJTKZBMNPURL-UHFFFAOYSA-M
    • SMILES: [I-].[N+]1(C)C2C=CC=CC=2C(C)(C)C=1C=CC1=CC(=CC=C2C(C)(C)C3C=CC=CC=3N2C)CCC1

Computed Properties

  • Exact Mass: 576.20000
  • Monoisotopic Mass: 576.20015g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 3
  • Complexity: 882
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 3
  • Topological Polar Surface Area: 6.2?2

Experimental Properties

  • PSA: 6.25000
  • LogP: 4.62480

1,3,3-Trimethyl-2-((E)-2-(3-(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene-1-cyclohexen-1-yl)ethenyl)-3H-indoliumiodide Pricemore >>

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1,3,3-Trimethyl-2-((E)-2-(3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl)ethenyl)-3H-indoliumiodide
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