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75865-00-8 | 1-(4-Methylphenyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolinium tetrafluoroborate
CAS No: 75865-00-8 Catalog No: AG01EXAV MDL No:
Product Description
Catalog Number:
AG01EXAV
Chemical Name:
1-(4-Methylphenyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolinium tetrafluoroborate
CAS Number:
75865-00-8
Molecular Formula:
C32H26BF4N
Molecular Weight:
511.3602
IUPAC Name:
1-(4-methylphenyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C32H26N.BF4/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)5/h2-17,19-20,22H,18,21H2,1H3;/q+1;-1
InChI Key:
PZVIARKMNPWAAG-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.Cc1ccc(cc1)[n+]1c(cc(c2c1c1ccccc1CC2)c1ccccc1)c1ccccc1
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
511.209g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
511.371g/mol
Monoisotopic Mass:
511.209g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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