NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-(2-{2-chloro-3-[2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-1,3,3-trimethyl-3H-indol-1-ium chloride
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IUPAC Traditional name
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2-(2-{2-chloro-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-1,3,3-trimethylindol-1-ium chloride
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Synonyms
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2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,3,3-trimethyl-3H-indolium chloride
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IR-775 chloride
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2-[2-[2-氯-3-[2-(1,3-二氢-1,3,3-三甲基-2H-吲哚-2-亚基)-亚乙基]-1-环己烯-1-基]-乙烯基]-1,3,3-三甲基-3H-吲哚鎓氯化物
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IR-775 氯化物
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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1
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H Donor
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0
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LogD (pH = 5.5)
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4.788591
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LogD (pH = 7.4)
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4.7887034
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Log P
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4.788705
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Molar Refractivity
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165.9125 cm3
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Polarizability
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57.605984 Å3
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Polar Surface Area
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6.25 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
544914
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Features and Benefits Solvent soluble, laser and near-IR dye Packaging 250 mg in glass bottle |
PATENTS
PATENTS
PubChem Patent
Google Patent