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139555-13-8 | Benzene, 1,2,3,4,5,6-hexakis(4-phenoxyphenoxy)-
CAS No: 139555-13-8 Catalog No: AG001B9C MDL No:
Product Description
Catalog Number:
AG001B9C
Chemical Name:
Benzene, 1,2,3,4,5,6-hexakis(4-phenoxyphenoxy)-
CAS Number:
139555-13-8
Molecular Formula:
C78H54O12
Molecular Weight:
1183.2562
IUPAC Name:
1,2,3,4,5,6-hexakis(4-phenoxyphenoxy)benzene
InChI:
InChI=1S/C78H54O12/c1-7-19-55(20-8-1)79-61-31-43-67(44-32-61)85-73-74(86-68-45-33-62(34-46-68)80-56-21-9-2-10-22-56)76(88-70-49-37-64(38-50-70)82-58-25-13-4-14-26-58)78(90-72-53-41-66(42-54-72)84-60-29-17-6-18-30-60)77(89-71-51-39-65(40-52-71)83-59-27-15-5-16-28-59)75(73)87-69-47-35-63(36-48-69)81-57-23-11-3-12-24-57/h1-54H
InChI Key:
WXUJLHJHDKCZLC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Oc1ccc(cc1)Oc1c(Oc2ccc(cc2)Oc2ccccc2)c(Oc2ccc(cc2)Oc2ccccc2)c(c(c1Oc1ccc(cc1)Oc1ccccc1)Oc1ccc(cc1)Oc1ccccc1)Oc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
1560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1182.362g/mol
Formal Charge:
0
Heavy Atom Count:
90
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1183.278g/mol
Monoisotopic Mass:
1182.362g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
20.3
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