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Home Other Building Blocks Reichardt's dye

Reichardt's dye

CAS No.:
10081-39-7
Catalog Number:
AG0085I7
Molecular Formula:
C41H29NO
Molecular Weight:
551.6751
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Product Description
Catalog Number:
AG0085I7
Chemical Name:
Reichardt's dye
CAS Number:
10081-39-7
Molecular Formula:
C41H29NO
Molecular Weight:
551.6751
MDL Number:
MFCD00013355
IUPAC Name:
2,6-diphenyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate
InChI:
InChI=1S/C41H29NO/c43-41-37(31-18-8-2-9-19-31)28-36(29-38(41)32-20-10-3-11-21-32)42-39(33-22-12-4-13-23-33)26-35(30-16-6-1-7-17-30)27-40(42)34-24-14-5-15-25-34/h1-29H
InChI Key:
UWOVWIIOKHRNKU-UHFFFAOYSA-N
SMILES:
[O-]c1c(cc(cc1c1ccccc1)[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
756  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
551.225g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
551.689g/mol
Monoisotopic Mass:
551.225g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
26.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1  
Literature
Title Journal
Identification and molecular interpretation of the effects of drug incorporation on the self-emulsification process using spectroscopic, micropolarimetric and microscopic measurements. Molecular pharmaceutics 20120904
Reichardt's dye and its reactions with the alkylating agents 4-chloro-1-butanol, ethyl methanesulfonate, 1-bromobutane and Fast Red B - a potentially useful reagent for the detection of genotoxic impurities in pharmaceuticals. The Journal of pharmacy and pharmacology 20090401
Properties