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80560-97-0 | 2,4-Diphenyl-1-(2-phenylethyl)pyridin-1-ium tetrafluoroboranuide
CAS No: 80560-97-0 Catalog No: AG01EXHL MDL No:
Product Description
Catalog Number:
AG01EXHL
Chemical Name:
2,4-Diphenyl-1-(2-phenylethyl)pyridin-1-ium tetrafluoroboranuide
CAS Number:
80560-97-0
Molecular Formula:
C25H22BF4N
Molecular Weight:
423.2535
IUPAC Name:
2,4-diphenyl-1-(2-phenylethyl)pyridin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C25H22N.BF4/c1-4-10-21(11-5-1)16-18-26-19-17-24(22-12-6-2-7-13-22)20-25(26)23-14-8-3-9-15-23;2-1(3,4)5/h1-15,17,19-20H,16,18H2;/q+1;-1
InChI Key:
LUJBTFWLQBRUMR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CC[n+]1ccc(cc1c1ccccc1)c1ccccc1.F[B-](F)(F)F
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.178g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.262g/mol
Monoisotopic Mass:
423.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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