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40875-48-7 | Oxazole, 2,2'-(1,2-ethenediyldi-4,1-phenylene)bis[5-phenyl-
CAS No: 40875-48-7 Catalog No: AG00743H MDL No:
Product Description
Catalog Number:
AG00743H
Chemical Name:
Oxazole, 2,2'-(1,2-ethenediyldi-4,1-phenylene)bis[5-phenyl-
CAS Number:
40875-48-7
Molecular Formula:
C32H22N2O2
Molecular Weight:
466.5293
IUPAC Name:
5-phenyl-2-[4-[2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-oxazole
InChI:
InChI=1S/C32H22N2O2/c1-3-7-25(8-4-1)29-21-33-31(35-29)27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)32-34-22-30(36-32)26-9-5-2-6-10-26/h1-22H
InChI Key:
DSAJRRHYNFSGSN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cnc(o1)c1ccc(cc1)C=Cc1ccc(cc1)c1ncc(o1)c1ccccc1
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.168g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.54g/mol
Monoisotopic Mass:
466.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.7
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