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71017-83-9 | 2,4,6-Triphenyl-1-[12-(2,4,6-triphenylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium bis(tetrafluoroboranuide)
CAS No: 71017-83-9 Catalog No: AG01EX1V MDL No:
Product Description
Catalog Number:
AG01EX1V
Chemical Name:
2,4,6-Triphenyl-1-[12-(2,4,6-triphenylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium bis(tetrafluoroboranuide)
CAS Number:
71017-83-9
Molecular Formula:
C58H58B2F8N2
Molecular Weight:
956.7037
IUPAC Name:
2,4,6-triphenyl-1-[12-(2,4,6-triphenylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium;ditetrafluoroborate
InChI:
InChI=1S/C58H58N2.2BF4/c1(3-5-7-27-41-59-55(49-33-19-11-20-34-49)43-53(47-29-15-9-16-30-47)44-56(59)50-35-21-12-22-36-50)2-4-6-8-28-42-60-57(51-37-23-13-24-38-51)45-54(48-31-17-10-18-32-48)46-58(60)52-39-25-14-26-40-52;2*2-1(3,4)5/h9-26,29-40,43-46H,1-8,27-28,41-42H2;;/q+2;2*-1
InChI Key:
NQYGWDCDXRKEFF-UHFFFAOYSA-N
SMILES:
C(CCCCC[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)CCCCCC[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1.F[B-](F)(F)F.F[B-](F)(F)F
Properties
Complexity:
989
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
956.466g/mol
Formal Charge:
0
Heavy Atom Count:
70
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
956.723g/mol
Monoisotopic Mass:
956.466g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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