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89419-68-1 | 10,12-Diphenyl-benzo[c]pyrido[1,2-a][1,8]naphthyridin-13-ium tetrafluoroborate
CAS No: 89419-68-1 Catalog No: AG01EYS4 MDL No:
Product Description
Catalog Number:
AG01EYS4
Chemical Name:
10,12-Diphenyl-benzo[c]pyrido[1,2-a][1,8]naphthyridin-13-ium tetrafluoroborate
CAS Number:
89419-68-1
Molecular Formula:
C28H19BF4N2
Molecular Weight:
470.2685
IUPAC Name:
16,18-diphenyl-3-aza-1-azoniatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene;tetrafluoroborate
InChI:
InChI=1S/C28H19N2.BF4/c1-3-10-20(11-4-1)22-18-26(21-12-5-2-6-13-21)30-27(19-22)24-15-8-7-14-23(24)25-16-9-17-29-28(25)30;2-1(3,4)5/h1-19H;/q+1;-1
InChI Key:
OBTAPKFJTLKFJB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc(cc2[n+]1c1ncccc1c1c2cccc1)c1ccccc1.F[B-](F)(F)F
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.158g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.278g/mol
Monoisotopic Mass:
470.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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