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78948-22-8 | (Phenylcarbamoyl)(2,4,6-triphenyl-1-pyridiniumyl)azanide
CAS No: 78948-22-8 Catalog No: AG01EXET MDL No:
Product Description
Catalog Number:
AG01EXET
Chemical Name:
(Phenylcarbamoyl)(2,4,6-triphenyl-1-pyridiniumyl)azanide
CAS Number:
78948-22-8
Molecular Formula:
C30H23N3O
Molecular Weight:
441.5231
IUPAC Name:
N'-phenyl-N-(2,4,6-triphenylpyridin-1-ium-1-yl)carbamimidate
InChI:
InChI=1S/C30H23N3O/c34-30(31-27-19-11-4-12-20-27)32-33-28(24-15-7-2-8-16-24)21-26(23-13-5-1-6-14-23)22-29(33)25-17-9-3-10-18-25/h1-22H,(H-,31,32,34)
InChI Key:
AFVCXVSQWXVMFN-UHFFFAOYSA-N
SMILES:
O=C([N-][n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)Nc1ccccc1
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.184g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
441.534g/mol
Monoisotopic Mass:
441.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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