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54231-67-3 | 2,4,6-Triphenyl-1-(2-pyridinyl)pyridinium perchlorate
CAS No: 54231-67-3 Catalog No: AG01EWEN MDL No:
Product Description
Catalog Number:
AG01EWEN
Chemical Name:
2,4,6-Triphenyl-1-(2-pyridinyl)pyridinium perchlorate
CAS Number:
54231-67-3
Molecular Formula:
C28H21ClN2O4
Molecular Weight:
484.9303
IUPAC Name:
2,4,6-triphenyl-1-pyridin-2-ylpyridin-1-ium;perchlorate
InChI:
InChI=1S/C28H21N2.ClHO4/c1-4-12-22(13-5-1)25-20-26(23-14-6-2-7-15-23)30(28-18-10-11-19-29-28)27(21-25)24-16-8-3-9-17-24;2-1(3,4)5/h1-21H;(H,2,3,4,5)/q+1;/p-1
InChI Key:
QNTFUQSBTRIWBK-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)c1cc(cc([n+]1c1ccccn1)c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.119g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
484.936g/mol
Monoisotopic Mass:
484.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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