Home Sulfos 1-(4-Methylphenyl)-2,4-diphenyl-5,6-dihydro benzo[h]quinolinium trifluoromethanesulfonate

1-(4-Methylphenyl)-2,4-diphenyl-5,6-dihydro benzo[h]quinolinium trifluoromethanesulfonate

CAS No.:
76017-55-5
Catalog Number:
AG01EXB5
Molecular Formula:
C33H26F3NO3S
Molecular Weight:
573.6246
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
1 week
United States
$330
- +
Product Description
Catalog Number:
AG01EXB5
Chemical Name:
1-(4-Methylphenyl)-2,4-diphenyl-5,6-dihydro benzo[h]quinolinium trifluoromethanesulfonate
CAS Number:
76017-55-5
Molecular Formula:
C33H26F3NO3S
Molecular Weight:
573.6246
MDL Number:
MFCD00961170
IUPAC Name:
1-(4-methylphenyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium;trifluoromethanesulfonate
InChI:
InChI=1S/C32H26N.CHF3O3S/c1-23-16-19-27(20-17-23)33-31(26-13-6-3-7-14-26)22-30(24-10-4-2-5-11-24)29-21-18-25-12-8-9-15-28(25)32(29)33;2-1(3,4)8(5,6)7/h2-17,19-20,22H,18,21H2,1H3;(H,5,6,7)/q+1;/p-1
InChI Key:
GPBXBYLJXWWSQA-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C(F)(F)F.Cc1ccc(cc1)[n+]1c(cc(c2c1c1ccccc1CC2)c1ccccc1)c1ccccc1
Properties
Complexity:
753  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
573.159g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
573.63g/mol
Monoisotopic Mass:
573.159g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties