DiD

Key facts

CAS number

127274-91-3

Form

Solid

Molecular weight

959.9 Da

Molecular formula

C₆₁H₉₉ClN₂O₄

PubChem identifier

16212738

Nature

Synthetic

Solubility

Soluble in DMSO.

Biochemical name

DiD perchlorate

Biological description

Red fluorescent membrane probe for long term staining of live cells, including neuronal tracing -due to the long chain (C-18) groups that embed into the plasma membrane of live cells. Also used in fiber optic sensors for detecting K+ using fluorescence energy transfer.

Canonical SMILES

CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C1=CC=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCCCCCC)(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN\1C2=CC=CC=C2C(/C1=C\C=C\C=C\C3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCCCCCC)(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C61H99N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-52-62-56-48-42-40-46-54(56)60(3,4)58(62)50-38-37-39-51-59-61(5,6)55-47-41-43-49-57(55)63(59)53-45-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h37-43,46-51H,7-36,44-45,52-53H2,1-6H3;(H,2,3,4,5)/q+1;/p-1

InChIKey

ZQSBJPAQPRVNHU-UHFFFAOYSA-M

IUPAC name

(2E)-2-[(2E,4E)-5-(3,3-dimethyl-1-octadecylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethyl-1-octadecylindole;perchlorate

Excitation/Emission

Ex: 596nm, Em: 670nm