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94266-15-6 | 2-(2-(decyloxy)phenyl)-1-(2-(2-(decyloxy)phenyl)-4,5-diphenyl-2h-imidazol-2-yl)-4,5-diphenyl-1h-imidazole
CAS No: 94266-15-6 Catalog No: AG006CPP MDL No:
Product Description
Catalog Number:
AG006CPP
Chemical Name:
2-(2-(decyloxy)phenyl)-1-(2-(2-(decyloxy)phenyl)-4,5-diphenyl-2h-imidazol-2-yl)-4,5-diphenyl-1h-imidazole
CAS Number:
94266-15-6
Molecular Formula:
C62H70N4O2
Molecular Weight:
903.2448
IUPAC Name:
2-(2-decoxyphenyl)-1-[2-(2-decoxyphenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
InChI:
InChI=1S/C62H70N4O2/c1-3-5-7-9-11-13-15-33-47-67-55-45-31-29-43-53(55)61-63-59(51-39-25-19-26-40-51)60(52-41-27-20-28-42-52)66(61)62(54-44-30-32-46-56(54)68-48-34-16-14-12-10-8-6-4-2)64-57(49-35-21-17-22-36-49)58(65-62)50-37-23-18-24-38-50/h17-32,35-46H,3-16,33-34,47-48H2,1-2H3
InChI Key:
NACLRLKJUHDKIR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccccc1c1nc(c(n1C1(N=C(C(=N1)c1ccccc1)c1ccccc1)c1ccccc1OCCCCCCCCCC)c1ccccc1)c1ccccc1
EC Number:
304-420-8
Properties
Complexity:
1410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
902.55g/mol
Formal Charge:
0
Heavy Atom Count:
68
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
903.268g/mol
Monoisotopic Mass:
902.55g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.2
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