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85765-06-6 | 1,3,4-Oxadiazole,2,2'-(1,4-naphthalenediyl)bis[5-[1,1'-biphenyl]-4-yl-
CAS No: 85765-06-6 Catalog No: AG004OVD MDL No:
Product Description
Catalog Number:
AG004OVD
Chemical Name:
1,3,4-Oxadiazole,2,2'-(1,4-naphthalenediyl)bis[5-[1,1'-biphenyl]-4-yl-
CAS Number:
85765-06-6
Molecular Formula:
C38H24N4O2
Molecular Weight:
568.6228
IUPAC Name:
2-(4-phenylphenyl)-5-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]naphthalen-1-yl]-1,3,4-oxadiazole
InChI:
InChI=1S/C38H24N4O2/c1-3-9-25(10-4-1)27-15-19-29(20-16-27)35-39-41-37(43-35)33-23-24-34(32-14-8-7-13-31(32)33)38-42-40-36(44-38)30-21-17-28(18-22-30)26-11-5-2-6-12-26/h1-24H
InChI Key:
PCFFWUSPULMRMJ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(ccc2c1nnc(o1)c1ccc(cc1)c1ccccc1)c1nnc(o1)c1ccc(cc1)c1ccccc1
EC Number:
288-589-2
Properties
Complexity:
819
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
568.19g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
568.636g/mol
Monoisotopic Mass:
568.19g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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