Cas no 143185-79-9 (1-BUTYL-2-((E)-3-[1-BUTYLBENZO[CD]INDOL-2(1H)-YLIDENE]-1-PROPENYL)BENZO[CD]INDOLIUM TETRAFLUOROBORATE)

1-BUTYL-2-((E)-3-[1-BUTYLBENZO[CD]INDOL-2(1H)-YLIDENE]-1-PROPENYL)BENZO[CD]INDOLIUM TETRAFLUOROBORATE structure
143185-79-9 structure
Product Name:1-BUTYL-2-((E)-3-[1-BUTYLBENZO[CD]INDOL-2(1H)-YLIDENE]-1-PROPENYL)BENZO[CD]INDOLIUM TETRAFLUOROBORATE
CAS No:143185-79-9
MF:C33H33BF4N2
MW:544.43314242363
CID:108211
PubChem ID:46783881
Update Time:2025-04-18

1-BUTYL-2-((E)-3-[1-BUTYLBENZO[CD]INDOL-2(1H)-YLIDENE]-1-PROPENYL)BENZO[CD]INDOLIUM TETRAFLUOROBORATE Chemical and Physical Properties

Names and Identifiers

    • 1-BUTYL-2-((E)-3-[1-BUTYLBENZO[CD]INDOL-2(1H)-YLIDENE]-1-PROPENYL)BENZO[CD]INDOLIUM TETRAFLUOROBORATE
    • 1-BUTYL-2-((E)-3-[1-BUTYLBENZO[CD]INDOL-2(1H)-YLIDENE]-1-PROPENYL)BENZO[CD]INDOLIUM TETRAFLUOR...
    • 1-butyl-2-[3-(1-butylbenzo[cd]indol-1-ium-2-yl)prop-2-enylidene]benzo[cd]indole,tetrafluoroborate
    • BENZ[CD]INDOLIUM,1-BUTYL-2-[3-(1-BUTYLBENZ[CD]INDOL-2(1H)-YLIDENE)-1-PROPENYL]-,(E,E)-,TETRAFLUOROBORATE(1-)
    • 2-butyl-3-[(1E)-3-[(3Z)-2-butyl-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-3-ylidene]prop-1-en-1-yl]-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),2,4(12),5,7,9-hexaen-2-ium; tetrafluoroboranuide
    • (2Z)-1-butyl-2-[(E)-3-(1-butylbenzo[cd]indol-1-ium-2-yl)prop-2-enylidene]benzo[cd]indole;tetrafluoroborate
    • 1-Butyl-2-[3-(1-butylbenzo[cd]indol-2(1H)-ylidene)prop-1-en-1-yl]benzo[cd]indol-1-ium tetrafluoroborate
    • 1-butyl-2-[3-(1-butylbenzo[cd]indol-1-ium-2-yl)prop-2-enylidene]benzo[cd]indole;tetrafluoroborate
    • 1-butyl-2-((1E,3Z)-3-(1-butylbenzo[cd]indol-2(1H)-ylidene)prop-1-en-1-yl)benzo[cd]indol-1-ium tetrafluoroborate
    • 1-BUTYL-2-((E)-3-[1-BUTYLBENZO[CD]INDOL-2(1H)-YLIDENE]-1-PROPENYL)BENZO[CD]INDOLIUM TETRAFLUOROBORAT
    • DTXSID90721631
    • 143185-79-9
    • EN300-25661631
    • Inchi: 1S/C33H33N2.BF4/c1-3-5-22-34-28(26-16-7-12-24-14-9-20-30(34)32(24)26)18-11-19-29-27-17-8-13-25-15-10-21-31(33(25)27)35(29)23-6-4-2;2-1(3,4)5/h7-21H,3-6,22-23H2,1-2H3;/q+1;-1
    • InChI Key: RLDUSRNJMKEHTI-UHFFFAOYSA-N
    • SMILES: F[B-](F)(F)F.[N+]1(CCCC)=C(/C=C/C=C2/C3=CC=CC4=CC=CC(=C34)N/2CCCC)C2=CC=CC3=CC=CC1=C23

Computed Properties

  • Exact Mass: 544.26700
  • Monoisotopic Mass: 544.267
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 8
  • Complexity: 789
  • 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: 6.2A^2

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 7.94000
  • LogP: 9.00920

1-BUTYL-2-((E)-3-[1-BUTYLBENZO[CD]INDOL-2(1H)-YLIDENE]-1-PROPENYL)BENZO[CD]INDOLIUM TETRAFLUOROBORATE Related Literature

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