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113940-83-3 | Benzenamine, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis[N,N-diphenyl-
CAS No: 113940-83-3 Catalog No: AG000A4Q MDL No:
Product Description
Catalog Number:
AG000A4Q
Chemical Name:
Benzenamine, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis[N,N-diphenyl-
CAS Number:
113940-83-3
Molecular Formula:
C38H28N4O
Molecular Weight:
556.6551
IUPAC Name:
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
InChI:
InChI=1S/C38H28N4O/c1-5-13-31(14-6-1)41(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-39-40-38(43-37)30-23-27-36(28-24-30)42(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H
InChI Key:
WQIKBGYJXJUQLR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1nnc(o1)c1ccc(cc1)N(c1ccccc1)c1ccccc1
Properties
Complexity:
697
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
556.226g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
556.669g/mol
Monoisotopic Mass:
556.226g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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