(Z)‐4‐(4‐(2‐(3′,5′‐bis(trifluoromethyl)‐[1,1′‐biphenyl]‐4‐yl)‐1‐cyanovinyl)phenyl)‐1‐methylpyridin‐1‐ium chloride | SBID = 669 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 5
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 8.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C29H19ClF6N2
M / g/mol: 544.9179792
Complexity:
Number of Conformers:

Identifiers

  • Tags: dye
  • Name: (Z)‐4‐(4‐(2‐(3′,5′‐bis(trifluoromethyl)‐[1,1′‐biphenyl]‐4‐yl)‐1‐cyanovinyl)phenyl)‐1‐methylpyridin‐1‐ium chloride
  • Preferred Abbreviation: Cyanostilbene
  • IUPAC Name:
  • CAS:
  • CID: -173
  • InChiKey: OQWPDYVFUNVISH-UHFFFAOYSA-M
  • InChi: InChI=1S/C29H19F6N2.ClH/c1-37-12-10-23(11-13-37)20-6-8-22(9-7-20)25(18-36)14-19-2-4-21(5-3-19)24-15-26(28(30,31)32)17-27(16-24)29(33,34)35;/h2-17H,1H3;1H/q+1;/p-1
  • CanoSmiles: N#C/C(=C\c1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/c1ccc(cc1)c1cc[n+](cc1)C.[Cl-]
  • IsoSmiles: N#C/C(C(C=C1)=CC=C1C2=CC=[N+](C)C=C2)=C\C3=CC=C(C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C=C3.[Cl-]