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Chemical structure of SMCy5·5

GC75249

SMCy5·5

Also known as 8,10-dicyclohexyl-5-[5-(1,1-dimethyl-3-pent-4-ynylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]-3,3-difluoro-2,4-dioxa-8,10-diaza-3-boranuidabicyclo[4.4.0]dec-1(6)-ene-7,9-dione

SMCy5·5 is an SMCy dye used for lipid droplet labeling with a very high two-photon absorption cross-section

ChemicalCAS2417507-09-4MW693.63FormulaC41H46BF2N3O4
CAS number
2417507-09-4
Molecular weight
693.63
Formula
C41H46BF2N3O4
InChIKey
CCEAGIQCUXUBGY-UHFFFAOYSA-N
Catalogue number
GC75249
Brand
GLPBIO
Computed properties PubChem CID 177678483 · TPSA 62.1 Ų · H-bond donors 0 · H-bond acceptors 7
TPSA
62.1 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
51

SMILES [B-]1(OC(=CC=CC=CC2=[N+](C3=C(C2(C)C)C4=CC=CC=C4C=C3)CCCC#C)C5=C(O1)N(C(=O)N(C5=O)C6CCCCC6)C7CCCCC7)(F)F

Computed descriptors from PubChem (CID 177678483), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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