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494-67-7 | Oxazole,2,2'-(1,4-phenylene)bis[5-[1,1'-biphenyl]-4-yl-
CAS No: 494-67-7 Catalog No: AG006ZVX MDL No:
Product Description
Catalog Number:
AG006ZVX
Chemical Name:
Oxazole,2,2'-(1,4-phenylene)bis[5-[1,1'-biphenyl]-4-yl-
CAS Number:
494-67-7
Molecular Formula:
C36H24N2O2
Molecular Weight:
516.5880
IUPAC Name:
5-(4-phenylphenyl)-2-[4-[5-(4-phenylphenyl)-1,3-oxazol-2-yl]phenyl]-1,3-oxazole
InChI:
InChI=1S/C36H24N2O2/c1-3-7-25(8-4-1)27-11-15-29(16-12-27)33-23-37-35(39-33)31-19-21-32(22-20-31)36-38-24-34(40-36)30-17-13-28(14-18-30)26-9-5-2-6-10-26/h1-24H
InChI Key:
WQOWDLAMIYDJOZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(cc1)c1cnc(o1)c1ccc(cc1)c1ncc(o1)c1ccc(cc1)c1ccccc1
NSC Number:
121343
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.184g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.6g/mol
Monoisotopic Mass:
516.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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