Cas no 101246-45-1 (Triphenyl(4-triphenylphosphaniumylbut-2-ynyl)phosphanium;diiodide)

Triphenyl(4-triphenylphosphaniumylbut-2-ynyl)phosphanium;diiodide structure
101246-45-1 structure
Product Name:Triphenyl(4-triphenylphosphaniumylbut-2-ynyl)phosphanium;diiodide
CAS No:101246-45-1
MF:C40H34I2P2
MW:830.454436779022
CID:1128107
PubChem ID:71332519
Update Time:2025-04-20

Triphenyl(4-triphenylphosphaniumylbut-2-ynyl)phosphanium;diiodide Chemical and Physical Properties

Names and Identifiers

    • but-2-yn-1,4 ylen-bistriphenylphosphonium iodide
    • CTK0D9698
    • ACMC-20m4ad
    • diiodure de butyn-2 ylene-1,4 bistriphenylphosphonium
    • diiodure de butyne-2 ylene-1,4 bis triphenylphosphonium
    • triphenyl(4-triphenylphosphaniumylbut-2-ynyl)phosphanium,diiodide
    • diiodide
    • triphenyl(4-triphenylphosphaniumylbut-2-ynyl)phosphanium
    • (But-2-yne-1,4-diyl)bis(triphenylphosphanium) diiodide
    • 101246-45-1
    • Phosphonium, 2-butyne-1,4-diylbis[triphenyl-, diiodide (9CI)
    • DTXSID10760946
    • Triphenyl(4-triphenylphosphaniumylbut-2-ynyl)phosphanium;diiodide
    • Inchi: 1S/C40H34P2.2HI/c1-7-21-35(22-8-1)41(36-23-9-2-10-24-36,37-25-11-3-12-26-37)33-19-20-34-42(38-27-13-4-14-28-38,39-29-15-5-16-30-39)40-31-17-6-18-32-40;;/h1-18,21-32H,33-34H2;2*1H/q+2;;/p-2
    • InChI Key: DMMBKASQYXFDBR-UHFFFAOYSA-L
    • SMILES: [I-].[I-].[P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)CC#CC[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 830.02252g/mol
  • Monoisotopic Mass: 830.02252g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 8
  • Complexity: 684
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 830.5g/mol
  • Topological Polar Surface Area: 0?2
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