cyanine dye LDP | SBID = 2555 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2: 42.37
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.3
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C23H26N3O+
M / g/mol: 360.47204
Complexity:
Number of Conformers:

Identifiers

  • Tags: dye
  • Name: cyanine dye LDP
  • Preferred Abbreviation: 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1-[2-(4-aminophenoxy)ethyl] pyridinium bromide
  • IUPAC Name:
  • CAS:
  • CID: -1114
  • InChiKey: GVQPZRBMHPIKFS-UHFFFAOYSA-N
  • InChi: InChI=1S/C23H26N3O/c1-25(2)22-9-5-19(6-10-22)3-4-20-13-15-26(16-14-20)17-18-27-23-11-7-21(24)8-12-23/h3-16H,17-18,24H2,1-2H3/q+1
  • CanoSmiles: Nc1ccc(cc1)OCC[n+]1ccc(cc1)/C=C/c1ccc(cc1)N(C)C
  • IsoSmiles: NC1=CC=C(OCC[N+]2=CC=C(/C=C/C3=CC=C(N(C)C)C=C3)C=C2)C=C1