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71017-84-0 | 2,4,6-Triphenyl-1-(pyridin-2-yl)-1-5-pyridin-1-ylium
CAS No: 71017-84-0 Catalog No: AG01EX1W MDL No:
Product Description
Catalog Number:
AG01EX1W
Chemical Name:
2,4,6-Triphenyl-1-(pyridin-2-yl)-1-5-pyridin-1-ylium
CAS Number:
71017-84-0
Molecular Formula:
C28H21BF4N2
Molecular Weight:
472.2844
IUPAC Name:
2,4,6-triphenyl-1-pyridin-2-ylpyridin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C28H21N2.BF4/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;/q+1;-1
InChI Key:
DOOQVCLPRBVIDQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc(cc([n+]1c1ccccn1)c1ccccc1)c1ccccc1.F[B-](F)(F)F
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.173g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.294g/mol
Monoisotopic Mass:
472.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
16.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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