Cas no 118996-03-5 (1,3,3-TRIMETHYL-2-[(E)-3-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1-PROPENYL]-3H-INDOLIUM TETRAPHENYLBORATE)

1,3,3-TRIMETHYL-2-[(E)-3-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1-PROPENYL]-3H-INDOLIUM TETRAPHENYLBORATE structure
118996-03-5 structure
Product Name:1,3,3-TRIMETHYL-2-[(E)-3-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1-PROPENYL]-3H-INDOLIUM TETRAPHENYLBORATE
CAS No:118996-03-5
MF:C49H49BN2
MW:676.737772703171
CID:132042
PubChem ID:10462188
Update Time:2025-04-19

1,3,3-TRIMETHYL-2-[(E)-3-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1-PROPENYL]-3H-INDOLIUM TETRAPHENYLBORATE Chemical and Physical Properties

Names and Identifiers

    • 1,3,3-TRIMETHYL-2-[(E)-3-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1-PROPENYL]-3H-INDOLIUM TETRAPHENYLBORATE
    • 1,3,3-TRIMETHYL-2-[(E)-3-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1-PROPENYL]-3H-INDOL...
    • 3H-INDOLIUM,2-[3-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-1-PROPENYL]-1,3,3-TRIMETHYL-,TETRAPHENYLBORATE(1-)
    • 3H-INDOLIUM, 2-[3-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-1-PROPENYL]-1,3,3-TRIMETHYL-, TETRAPHENYLBORATE(1-)
    • 118996-03-5
    • tetraphenylboranuide;(2E)-1,3,3-trimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole
    • Inchi： 1S/C25H29N2.C24H20B/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;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h7-17H,1-6H3;1-20H/q+1;-1
    • InChI Key： IMDMLPVVUDRRDZ-UHFFFAOYSA-N
    • SMILES： [N+]1(C)C2C=CC=CC=2C(C)(C)C=1/C=C/C=C1\C(C)(C)C2C=CC=CC=2N\1C.C1([B-](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1

Computed Properties

  • Exact Mass: 676.39900
  • Monoisotopic Mass: 676.3988797g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 6
  • Complexity: 924
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 6.2?2

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 6.25000
  • LogP: 8.64810

1,3,3-TRIMETHYL-2-[(E)-3-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1-PROPENYL]-3H-INDOLIUM TETRAPHENYLBORATE Related Literature

118996-03-5 (1,3,3-TRIMETHYL-2-[(E)-3-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1-PROPENYL]-3H-INDOLIUM TETRAPHENYLBORATE) Related Products

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