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27051-96-3 | Oxazole, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[4,5-diphenyl-
CAS No: 27051-96-3 Catalog No: AG007M0Y MDL No:
Product Description
Catalog Number:
AG007M0Y
Chemical Name:
Oxazole, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[4,5-diphenyl-
CAS Number:
27051-96-3
Molecular Formula:
C42H28N2O2
Molecular Weight:
592.6839
IUPAC Name:
2-[4-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-diphenyl-1,3-oxazole
InChI:
InChI=1S/C42H28N2O2/c1-5-13-31(14-6-1)37-39(33-17-9-3-10-18-33)45-41(43-37)35-25-21-29(22-26-35)30-23-27-36(28-24-30)42-44-38(32-15-7-2-8-16-32)40(46-42)34-19-11-4-12-20-34/h1-28H
InChI Key:
XJXLSYQXFWLWRP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1oc(nc1c1ccccc1)c1ccc(cc1)c1ccc(cc1)c1nc(c(o1)c1ccccc1)c1ccccc1
Properties
Complexity:
829
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
592.215g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
592.698g/mol
Monoisotopic Mass:
592.215g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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