3,3'-Dioctadecyloxacarbocyanine perchlorate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 151
Total Number of Articles : 127
PubChem 2762625
Molecular Formula

C53H85ClN2O6

SMILES

CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCCCCCCCCCCCCCCC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C53H85N2O2.ClHO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-46-54-48-40-33-35-42-50(48)56-52(54)44-39-45-53-55(49-41-34-36-43-51(49)57-53)47-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2-1(3,4)5/h33-36,39-45H,3-32,37-38,46-47H2,1-2H3;(H,2,3,4,5)/q+1;/p-1

synonyms
  • 34215-57-1
  • 3,3'-Dioctadecyloxacarbocyanine perchlorate
  • DiO;DiOC18(3)
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Properties
Property Value
MW 881.7 g/mol
HBD 0
HBA 7
Rotatable Bond Count 36
Exact Mass 880.6096161 g/mol
Monoisotopic Mass 880.6096161 g/mol
Heavy Atom Count 62
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 2
Complexity 1020
xlogp None
Topological Polar Surface Area 104