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3520-43-2 molecular structure
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5,6-dichloro-2-{3-[(2E)-5,6-dichloro-1,3-diethyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl}-1,3-diethyl-1H-1,3-benzodiazol-3-ium iodide

ChemBase ID: 155689
Molecular Formular: C25H27Cl4IN4
Molecular Mass: 652.22515
Monoisotopic Mass: 650.0034556
SMILES and InChIs

SMILES:
CCn1c2cc(c(cc2[n+](c1/C=C/C=c\1/n(c2cc(c(cc2n1CC)Cl)Cl)CC)CC)Cl)Cl.[I-]
Canonical SMILES:
CCn1/c(=C/C=C/c2n(CC)c3c([n+]2CC)cc(c(c3)Cl)Cl)/n(c2c1cc(Cl)c(c2)Cl)CC.[I-]
InChI:
InChI=1S/C25H27Cl4N4.HI/c1-5-30-20-12-16(26)17(27)13-21(20)31(6-2)24(30)10-9-11-25-32(7-3)22-14-18(28)19(29)15-23(22)33(25)8-4;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1
InChIKey:
FYNNIUVBDKICAX-UHFFFAOYSA-M

Cite this record

CBID:155689 http://www.chembase.cn/molecule-155689.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,6-dichloro-2-{3-[(2E)-5,6-dichloro-1,3-diethyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl}-1,3-diethyl-1H-1,3-benzodiazol-3-ium iodide
IUPAC Traditional name
5,6-dichloro-2-{3-[(2E)-5,6-dichloro-1,3-diethyl-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl}-1,3-diethyl-1,3-benzodiazol-1-ium iodide
Synonyms
5,5′,6,6′-Tetrachloro-1,1′,3,3′-tetraethyl-imidacarbocyanine iodide
5,5′,6,6′-Tetrachloro-1,1′,3,3′-tetraethylbenzimidazolocarbocyanine iodide
CBIC2(3)
JC-1
CAS Number
3520-43-2
MDL Number
MFCD00188475
PubChem SID
24865598
162249827
24900193
PubChem CID
5492929

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5492929 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.280738  LogD (pH = 7.4) 4.280741 
Log P 4.2807417  Molar Refractivity 165.093 cm3
Polarizability 55.096893 Å3 Polar Surface Area 15.29 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
solid expand Show data source
Fluorescence
λex 520 nm; λem 596 nm in 0.1 M Tris pH 8.0 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥90% (HPCE) expand Show data source
Empirical Formula (Hill Notation)
C25H27Cl4IN4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - T4069 external link
Application
A dual-emission potential-sensitive probe that can be used to measure mitochondrial membrane potential. JC-1 is a green-fluorescent (λex 520 nm) monomer at low membrane potential. At higher potentials, JC-1 forms red-fluorescent (λem 596 nm ) "J-aggregates," which exhibit broad excitation and very narrow emission spectra. The ratio of red to green fluorescence of JC-1 is dependent only on membrane potential, and not influenced by mitochondrial size, shape, or density.
Sigma Aldrich - 40882 external link
Application
A dual-emission potential-sensitive probe that can be used to measure mitochondrial membrane potential. JC-1 is a green-fluorescent (λex 520 nm) monomer at low membrane potential. At higher potentials, JC-1 forms red-fluorescent (λem 596 nm ) "J-aggregates," which exhibit broad excitation and very narrow emission spectra. The ratio of red to green fluorescence of JC-1 is dependent only on membrane potential, and not influenced by mitochondrial size, shape, or density.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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