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89419-70-5 | 9-Phenylbenzo[c]benzo[1,2]quinolizino[3,4,5,6-ija][1,6]naphthyridin-15-ium tetrafluoroborate
CAS No: 89419-70-5 Catalog No: AG01F30X MDL No:
Product Description
Catalog Number:
AG01F30X
Chemical Name:
9-Phenylbenzo[c]benzo[1,2]quinolizino[3,4,5,6-ija][1,6]naphthyridin-15-ium tetrafluoroborate
CAS Number:
89419-70-5
Molecular Formula:
C28H17BF4N2
Molecular Weight:
468.2526
IUPAC Name:
21-phenyl-10-aza-23-azoniahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8(24),9,11,13,15,17,19(23),20-dodecaene;tetrafluoroborate
InChI:
InChI=1S/C28H17N2.BF4/c1-2-8-18(9-3-1)19-14-26-22-12-6-4-10-20(22)24-16-29-17-25-21-11-5-7-13-23(21)27(15-19)30(26)28(24)25;2-1(3,4)5/h1-17H;/q+1;-1
InChI Key:
HIOKKNGSCSKXOV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc2c3ccccc3c3c4[n+]2c(c1)c1ccccc1c4cnc3.F[B-](F)(F)F
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.142g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.262g/mol
Monoisotopic Mass:
468.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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