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87999-16-4 | 5H-Indeno[1,2-b]pyridin-5-one, 4-(4-methoxyphenyl)-2,3-diphenyl-
CAS No: 87999-16-4 Catalog No: AG004KIA MDL No:
Product Description
Catalog Number:
AG004KIA
Chemical Name:
5H-Indeno[1,2-b]pyridin-5-one, 4-(4-methoxyphenyl)-2,3-diphenyl-
CAS Number:
87999-16-4
Molecular Formula:
C31H21NO2
Molecular Weight:
439.5039
IUPAC Name:
4-(4-methoxyphenyl)-2,3-diphenylindeno[1,2-b]pyridin-5-one
InChI:
InChI=1S/C31H21NO2/c1-34-23-18-16-21(17-19-23)26-27(20-10-4-2-5-11-20)29(22-12-6-3-7-13-22)32-30-24-14-8-9-15-25(24)31(33)28(26)30/h2-19H,1H3
InChI Key:
BZGGDBZWISMKOT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(c2ccccc2)c(nc2c1C(=O)c1c2cccc1)c1ccccc1
Properties
Complexity:
688
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.157g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.514g/mol
Monoisotopic Mass:
439.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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