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88125-57-9 | 7-Phenyl-14-propyl-5,6,8,9-tetrahydrodibenzo[c,h]-acridinium tetrafluoroborate
CAS No: 88125-57-9 Catalog No: AG01EY5W MDL No:
Product Description
Catalog Number:
AG01EY5W
Chemical Name:
7-Phenyl-14-propyl-5,6,8,9-tetrahydrodibenzo[c,h]-acridinium tetrafluoroborate
CAS Number:
88125-57-9
Molecular Formula:
C30H28BF4N
Molecular Weight:
489.3546
IUPAC Name:
13-phenyl-2-propyl-2-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,17,19,21-nonaene;tetrafluoroborate
InChI:
InChI=1S/C30H28N.BF4/c1-2-20-31-29-24-14-8-6-10-21(24)16-18-26(29)28(23-12-4-3-5-13-23)27-19-17-22-11-7-9-15-25(22)30(27)31;2-1(3,4)5/h3-15H,2,16-20H2,1H3;/q+1;-1
InChI Key:
YSYIJVOAYCJFHP-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CCC[n+]1c2c3ccccc3CCc2c(c2c1c1ccccc1CC2)c1ccccc1
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.225g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
489.365g/mol
Monoisotopic Mass:
489.225g/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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