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83254-45-9 | 1-[(2-Benzoylbenzoyl)azanidyl]-2,4,6-triphenylpyridin-1-ium
CAS No: 83254-45-9 Catalog No: AG01EXL5 MDL No:
Product Description
Catalog Number:
AG01EXL5
Chemical Name:
1-[(2-Benzoylbenzoyl)azanidyl]-2,4,6-triphenylpyridin-1-ium
CAS Number:
83254-45-9
Molecular Formula:
C37H26N2O2
Molecular Weight:
530.6145
IUPAC Name:
(2-benzoylbenzoyl)-(2,4,6-triphenylpyridin-1-ium-1-yl)azanide
InChI:
InChI=1S/C37H26N2O2/c40-36(30-21-11-4-12-22-30)32-23-13-14-24-33(32)37(41)38-39-34(28-17-7-2-8-18-28)25-31(27-15-5-1-6-16-27)26-35(39)29-19-9-3-10-20-29/h1-26H
InChI Key:
XMBKDCAFLIHARF-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)[N-][n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
806
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.199g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
530.627g/mol
Monoisotopic Mass:
530.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
39A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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