Name: Heptamethine cyanine dye-1
Rating: 5 (10 reviews)

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HIT ID:HIT212672152
Cas No:162411-29-2
常用名:Heptamethine cyanine dye-1
别名:ADS 815EI
IUPAC:2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3-ethyl-1,1-dimethyl-1H,2H,3H-benzo[e]indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3-ethyl-1,1-dimethyl-1H-benzo[e]indol-3-ium iodide
IUPAC:2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3-ethyl-1,1-dimethyl-1H,2H,3H-benzo[e]indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3-ethyl-1,1-dimethyl-1H-benzo[e]indol-3-ium iodide
InChI key:CNQCCCLLXKARPK-UHFFFAOYSA-M

分子式:C42H44ClIN2
分子量:739.18
氢键供体数 (HBD):0
氢键受体数 (HBA):1
LogP:7.481274
SMILES:[I-].CCN1\C(=C\C=C2/CCCC(\C=C\C3=[N+](CC)c4ccc5ccccc5c4C3(C)C)=C2Cl)C(C)(C)c2c1ccc1ccccc21 |c:13,32|
SMILES:[I-].CCN1\C(=C\C=C2/CCCC(\C=C\C3=[N+](CC)c4ccc5ccccc5c4C3(C)C)=C2Cl)C(C)(C)c2c1ccc1ccccc21 |c:13,32|

Heptamethine cyanine dye-1, a near-infrared cyanine dye, is used for fluorescence imaging in biological systems.

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