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61777-34-2 | 1-(Benzoylazanidyl)-2,4,6-triphenylpyridin-1-ium
CAS No: 61777-34-2 Catalog No: AG01EWNR MDL No:
Product Description
Catalog Number:
AG01EWNR
Chemical Name:
1-(Benzoylazanidyl)-2,4,6-triphenylpyridin-1-ium
CAS Number:
61777-34-2
Molecular Formula:
C30H22N2O
Molecular Weight:
426.5085
IUPAC Name:
(Z)-N-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidate
InChI:
InChI=1S/C30H22N2O/c33-30(26-19-11-4-12-20-26)31-32-28(24-15-7-2-8-16-24)21-27(23-13-5-1-6-14-23)22-29(32)25-17-9-3-10-18-25/h1-22H
InChI Key:
MXDQETUYEVZEIX-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)[N-][n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
426.173g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.519g/mol
Monoisotopic Mass:
426.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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