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79782-89-1 | Pyridinium, 2,4,6-triphenyl-1-(2-phenylethyl)-, perchlorate
CAS No: 79782-89-1 Catalog No: AG005H94 MDL No:
Product Description
Catalog Number:
AG005H94
Chemical Name:
Pyridinium, 2,4,6-triphenyl-1-(2-phenylethyl)-, perchlorate
CAS Number:
79782-89-1
Molecular Formula:
C31H26ClNO4
Molecular Weight:
511.9954
IUPAC Name:
2,4,6-triphenyl-1-(2-phenylethyl)pyridin-1-ium;perchlorate
InChI:
InChI=1S/C31H26N.ClHO4/c1-5-13-25(14-6-1)21-22-32-30(27-17-9-3-10-18-27)23-29(26-15-7-2-8-16-26)24-31(32)28-19-11-4-12-20-28;2-1(3,4)5/h1-20,23-24H,21-22H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
XLMZXJQAGUNVPV-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)CC[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
511.155g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
512.002g/mol
Monoisotopic Mass:
511.155g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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