Cas no 25470-94-4 (3H-Indolium,2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-,iodide (1:1))

3H-Indolium,2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-,iodide (1:1) structure
25470-94-4 structure
Product Name:3H-Indolium,2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-,iodide (1:1)
CAS No:25470-94-4
MF:C25H29IN2
MW:484.415638685226
CID:279477
PubChem ID:117518
Update Time:2025-04-19

3H-Indolium,2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-,iodide (1:1) Chemical and Physical Properties

Names and Identifiers

    • 3H-Indolium,2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-,iodide (1:1)
    • 1,3,3-trimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole,iodide
    • 1,1',3,3,3',3'-Hexamethylindocarbocyanine
    • 2-(3-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl)-1,3,3-trimethyl-3H-indolium iodide
    • 3H-Indolium, 2-(3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl)-1,3,3-trimethyl-, iodide (1:1)
    • 3H-Indolium, 2-(3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl)-1,3,3-trimethyl-, iodide
    • 1, 3, 3-trimethyl-2-[3-(1, 3, 3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole;iodide
    • 1,3,3-trimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole;iodide
    • 3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-, iodide (1:1)
    • SCHEMBL899772
    • DTXSID90885303
    • NS00083851
    • 25470-94-4
    • 3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, iodide
    • 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium iodide
    • DiIC1(3)
    • EINECS 247-014-5
    • DTXCID401024689
    • ZGBJQZCIUVDAHE-UHFFFAOYSA-M
    • 1,1',3,3,3',3'-hexamethylindocarbocyanine iodide
    • Inchi： 1S/C25H29N2.HI/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;/h7-17H,1-6H3;1H/q+1;/p-1
    • InChI Key： ZGBJQZCIUVDAHE-UHFFFAOYSA-M
    • SMILES： [I-].[N+]1(C)C2C=CC=CC=2C(C)(C)C=1C=CC=C1C(C)(C)C2C=CC=CC=2N1C

Computed Properties

  • Exact Mass: 454.9102
  • Monoisotopic Mass: 484.138
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 2
  • Complexity: 623
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 2
  • Topological Polar Surface Area: 6.2?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 6.25

3H-Indolium,2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-,iodide (1:1) Related Literature

25470-94-4 (3H-Indolium,2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-,iodide (1:1)) Related Products

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