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159424-07-4 | Methanone, 1,3,5-benzenetriyltris[[4-(1,1-dimethylethyl)phenyl]- (9CI)
CAS No: 159424-07-4 Catalog No: AG001QOU MDL No:
Product Description
Catalog Number:
AG001QOU
Chemical Name:
Methanone, 1,3,5-benzenetriyltris[[4-(1,1-dimethylethyl)phenyl]- (9CI)
CAS Number:
159424-07-4
Molecular Formula:
C39H42O3
Molecular Weight:
558.7490
IUPAC Name:
[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-tert-butylphenyl)methanone
InChI:
InChI=1S/C39H42O3/c1-37(2,3)31-16-10-25(11-17-31)34(40)28-22-29(35(41)26-12-18-32(19-13-26)38(4,5)6)24-30(23-28)36(42)27-14-20-33(21-15-27)39(7,8)9/h10-24H,1-9H3
InChI Key:
DXOFOBDSAYBYRA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(C)(C)C)c1cc(cc(c1)C(=O)c1ccc(cc1)C(C)(C)C)C(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
796
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.313g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
558.762g/mol
Monoisotopic Mass:
558.313g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11
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