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Chemical structure of Cyanine5·5 alkyne

GC17211

Cyanine5·5 alkyne

Also known as 6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]-N-prop-2-ynylhexanamide chloride

Cyanine5·5 alkyne, a near-infrared (NIR) fluorescent dye, is an alkyne modified Cyanine5·5 (Ex=680 nm, Em=710 nm)

ChemicalCAS1628790-37-3MW656.3FormulaC43H46ClN3O
CAS number
1628790-37-3
Molecular weight
656.3
Formula
C43H46ClN3O
Solubility
≥ 65·6mg/mL in DMSO, ≥ 13 mg/mL in EtOH
InChIKey
ZAMUEMBIJDLVQF-UHFFFAOYSA-N
Catalogue number
GC17211
Brand
GLPBIO
Computed properties PubChem CID 146156070 · TPSA 35.4 Ų · H-bond donors 1 · H-bond acceptors 3
TPSA
35.4 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
48

SMILES CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=CC=C4C(C5=C(N4CCCCCC(=O)NCC#C)C=CC6=CC=CC=C65)(C)C)C.[Cl-]

Computed descriptors from PubChem (CID 146156070), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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