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90328-36-2 | Quinolinium, 2-(2,4-diphenyl-1,3-butadienyl)-1-phenyl-, perchlorate
CAS No: 90328-36-2 Catalog No: AG006FMO MDL No:
Product Description
Catalog Number:
AG006FMO
Chemical Name:
Quinolinium, 2-(2,4-diphenyl-1,3-butadienyl)-1-phenyl-, perchlorate
CAS Number:
90328-36-2
Molecular Formula:
C31H24ClNO4
Molecular Weight:
509.9796
IUPAC Name:
2-(2,4-diphenylbuta-1,3-dienyl)-1-phenylquinolin-1-ium;perchlorate
InChI:
InChI=1S/C31H24N.ClHO4/c1-4-12-25(13-5-1)20-21-28(26-14-6-2-7-15-26)24-30-23-22-27-16-10-11-19-31(27)32(30)29-17-8-3-9-18-29;2-1(3,4)5/h1-24H;(H,2,3,4,5)/q+1;/p-1
InChI Key:
QTLRLOAOMOIHJJ-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)C=CC(=Cc1ccc2c([n+]1c1ccccc1)cccc2)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
509.139g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
509.986g/mol
Monoisotopic Mass:
509.139g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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