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27051-97-4 | Oxazole, 2,2'-[1,1':4',1''-terphenyl]-4,4''-diylbis[4,5-diphenyl-
CAS No: 27051-97-4 Catalog No: AG007M0X MDL No:
Product Description
Catalog Number:
AG007M0X
Chemical Name:
Oxazole, 2,2'-[1,1':4',1''-terphenyl]-4,4''-diylbis[4,5-diphenyl-
CAS Number:
27051-97-4
Molecular Formula:
C48H32N2O2
Molecular Weight:
668.7799
IUPAC Name:
2-[4-[4-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]phenyl]-4,5-diphenyl-1,3-oxazole
InChI:
InChI=1S/C48H32N2O2/c1-5-13-37(14-6-1)43-45(39-17-9-3-10-18-39)51-47(49-43)41-29-25-35(26-30-41)33-21-23-34(24-22-33)36-27-31-42(32-28-36)48-50-44(38-15-7-2-8-16-38)46(52-48)40-19-11-4-12-20-40/h1-32H
InChI Key:
MVGVPNSECKMQDD-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1oc(nc1c1ccccc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1nc(c(o1)c1ccccc1)c1ccccc1
Properties
Complexity:
966
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
668.246g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
668.796g/mol
Monoisotopic Mass:
668.246g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12
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