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67520-56-3 | 1,2,4,6-Tetraphenylpyridinium iodide
CAS No: 67520-56-3 Catalog No: AG01EWV8 MDL No:
Product Description
Catalog Number:
AG01EWV8
Chemical Name:
1,2,4,6-Tetraphenylpyridinium iodide
CAS Number:
67520-56-3
Molecular Formula:
C29H22IN
Molecular Weight:
511.3962
IUPAC Name:
1,2,4,6-tetraphenylpyridin-1-ium;iodide
InChI:
InChI=1S/C29H22N.HI/c1-5-13-23(14-6-1)26-21-28(24-15-7-2-8-16-24)30(27-19-11-4-12-20-27)29(22-26)25-17-9-3-10-18-25;/h1-22H;1H/q+1;/p-1
InChI Key:
ZQDIDNPIAXJYPP-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)c1cc(c2ccccc2)[n+](c(c1)c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
511.08g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
511.406g/mol
Monoisotopic Mass:
511.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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