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71777-84-9 | 2,4,6-Triphenyl-1-(propan-2-yl)pyridin-1-ium iodide
CAS No: 71777-84-9 Catalog No: AG01EX2Y MDL No:
Product Description
Catalog Number:
AG01EX2Y
Chemical Name:
2,4,6-Triphenyl-1-(propan-2-yl)pyridin-1-ium iodide
CAS Number:
71777-84-9
Molecular Formula:
C26H24IN
Molecular Weight:
477.3799
IUPAC Name:
2,4,6-triphenyl-1-propan-2-ylpyridin-1-ium;iodide
InChI:
InChI=1S/C26H24N.HI/c1-20(2)27-25(22-14-8-4-9-15-22)18-24(21-12-6-3-7-13-21)19-26(27)23-16-10-5-11-17-23;/h3-20H,1-2H3;1H/q+1;/p-1
InChI Key:
VIUXHBDHWMUZDG-UHFFFAOYSA-M
SMILES:
CC([n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)C.[I-]
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.095g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.389g/mol
Monoisotopic Mass:
477.095g/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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