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138372-67-5 | 1,3,4-Oxadiazole, 2,2'-(1,3-phenylene)bis[5-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 138372-67-5 Catalog No: AG0018NT MDL No:MFCD03093214
Product Description
Catalog Number:
AG0018NT
Chemical Name:
1,3,4-Oxadiazole, 2,2'-(1,3-phenylene)bis[5-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
138372-67-5
Molecular Formula:
C30H30N4O2
Molecular Weight:
478.5848
MDL Number:
MFCD03093214
IUPAC Name:
2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
InChI:
InChI=1S/C30H30N4O2/c1-29(2,3)23-14-10-19(11-15-23)25-31-33-27(35-25)21-8-7-9-22(18-21)28-34-32-26(36-28)20-12-16-24(17-13-20)30(4,5)6/h7-18H,1-6H3
InChI Key:
FQJQNLKWTRGIEB-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1nnc(o1)c1cccc(c1)c1nnc(o1)c1ccc(cc1)C(C)(C)C)(C)C
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.237g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
478.596g/mol
Monoisotopic Mass:
478.237g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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