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75864-92-5 | 2,4-Diphenyl-1-(2-pyridinyl)-5,6-dihydrobenzo[h]quinolinium tetrafluoroborate
CAS No: 75864-92-5 Catalog No: AG01EXAU MDL No:
Product Description
Catalog Number:
AG01EXAU
Chemical Name:
2,4-Diphenyl-1-(2-pyridinyl)-5,6-dihydrobenzo[h]quinolinium tetrafluoroborate
CAS Number:
75864-92-5
Molecular Formula:
C30H23BF4N2
Molecular Weight:
498.3216
IUPAC Name:
2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C30H23N2.BF4/c1-3-11-22(12-4-1)27-21-28(24-14-5-2-6-15-24)32(29-17-9-10-20-31-29)30-25-16-8-7-13-23(25)18-19-26(27)30;2-1(3,4)5/h1-17,20-21H,18-19H2;/q+1;-1
InChI Key:
DMECCRDSTFPNEO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc(c2ccccc2)c2c([n+]1c1ccccn1)c1ccccc1CC2.F[B-](F)(F)F
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.189g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.332g/mol
Monoisotopic Mass:
498.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
16.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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