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Home > Indoles and Oxindole > 112230-71-4
112230-71-4 | 1H-Isoindole-1,3(2H)-dione, 5,5'-methylenebis[2-phenyl-
CAS No: 112230-71-4 Catalog No: AG008353 MDL No:
Product Description
Catalog Number:
AG008353
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5,5'-methylenebis[2-phenyl-
CAS Number:
112230-71-4
Molecular Formula:
C29H18N2O4
Molecular Weight:
458.4642
IUPAC Name:
5-[(1,3-dioxo-2-phenylisoindol-5-yl)methyl]-2-phenylisoindole-1,3-dione
InChI:
InChI=1S/C29H18N2O4/c32-26-22-13-11-18(16-24(22)28(34)30(26)20-7-3-1-4-8-20)15-19-12-14-23-25(17-19)29(35)31(27(23)33)21-9-5-2-6-10-21/h1-14,16-17H,15H2
InChI Key:
WBXHFUVHUCBSLV-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2C(=O)N1c1ccccc1)Cc1ccc2c(c1)C(=O)N(C2=O)c1ccccc1
Properties
Complexity:
804
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.127g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.473g/mol
Monoisotopic Mass:
458.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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