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Home > Other Building Blocks > 88317-19-5
88317-19-5 | 4(1H)-Pyrimidinone, 2-(4-methylphenyl)-1,5,6-triphenyl-
CAS No: 88317-19-5 Catalog No: AG0047XW MDL No:
Product Description
Catalog Number:
AG0047XW
Chemical Name:
4(1H)-Pyrimidinone, 2-(4-methylphenyl)-1,5,6-triphenyl-
CAS Number:
88317-19-5
Molecular Formula:
C29H22N2O
Molecular Weight:
414.4978
IUPAC Name:
2-(4-methylphenyl)-1,5,6-triphenylpyrimidin-4-one
InChI:
InChI=1S/C29H22N2O/c1-21-17-19-24(20-18-21)28-30-29(32)26(22-11-5-2-6-12-22)27(23-13-7-3-8-14-23)31(28)25-15-9-4-10-16-25/h2-20H,1H3
InChI Key:
DWYPHNYHNXHWSY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc(=O)c(c(n1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
711
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.173g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.508g/mol
Monoisotopic Mass:
414.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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