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20104-42-1 | [1,1':3',1''-Terphenyl]-2'-ol, 5'-([1,1':3',1''-terphenyl]-2'-yloxy)- (9CI)
CAS No: 20104-42-1 Catalog No: AG002D6K MDL No:
Product Description
Catalog Number:
AG002D6K
Chemical Name:
[1,1':3',1''-Terphenyl]-2'-ol, 5'-([1,1':3',1''-terphenyl]-2'-yloxy)- (9CI)
CAS Number:
20104-42-1
Molecular Formula:
C36H26O2
Molecular Weight:
490.5904
IUPAC Name:
4-(2,6-diphenylphenoxy)-2,6-diphenylphenol
InChI:
InChI=1S/C36H26O2/c37-35-33(28-18-9-3-10-19-28)24-30(25-34(35)29-20-11-4-12-21-29)38-36-31(26-14-5-1-6-15-26)22-13-23-32(36)27-16-7-2-8-17-27/h1-25,37H
InChI Key:
XHPCQJXEMUZNMY-UHFFFAOYSA-N
SMILES:
Oc1c(cc(cc1c1ccccc1)Oc1c(cccc1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.193g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
490.602g/mol
Monoisotopic Mass:
490.193g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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