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88440-01-1 | 4(3H)-Pyrimidinone, 3-(4-methylphenyl)-2,5,6-triphenyl-
CAS No: 88440-01-1 Catalog No: AG004ENG MDL No:
Product Description
Catalog Number:
AG004ENG
Chemical Name:
4(3H)-Pyrimidinone, 3-(4-methylphenyl)-2,5,6-triphenyl-
CAS Number:
88440-01-1
Molecular Formula:
C29H22N2O
Molecular Weight:
414.4978
IUPAC Name:
3-(4-methylphenyl)-2,5,6-triphenylpyrimidin-4-one
InChI:
InChI=1S/C29H22N2O/c1-21-17-19-25(20-18-21)31-28(24-15-9-4-10-16-24)30-27(23-13-7-3-8-14-23)26(29(31)32)22-11-5-2-6-12-22/h2-20H,1H3
InChI Key:
YHVWIKVBGJJUPH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(nc(c(c1=O)c1ccccc1)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:
2
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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