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921938-35-4 | 2,6,10-Triphenylenetriol, 3,7,11-tris(undecyloxy)-
CAS No: 921938-35-4 Catalog No: AG006FT7 MDL No:
Product Description
Catalog Number:
AG006FT7
Chemical Name:
2,6,10-Triphenylenetriol, 3,7,11-tris(undecyloxy)-
CAS Number:
921938-35-4
Molecular Formula:
C51H78O6
Molecular Weight:
787.1614
IUPAC Name:
3,7,11-tri(undecoxy)triphenylene-2,6,10-triol
InChI:
InChI=1S/C51H78O6/c1-4-7-10-13-16-19-22-25-28-31-55-49-37-43-40(34-46(49)52)44-38-50(56-32-29-26-23-20-17-14-11-8-5-2)48(54)36-42(44)45-39-51(47(53)35-41(43)45)57-33-30-27-24-21-18-15-12-9-6-3/h34-39,52-54H,4-33H2,1-3H3
InChI Key:
UZWKWZXKIHAPTO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCOc1cc2c(cc1O)c1cc(OCCCCCCCCCCC)c(cc1c1c2cc(O)c(c1)OCCCCCCCCCCC)O
Properties
Complexity:
837
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
786.58g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
787.179g/mol
Monoisotopic Mass:
786.58g/mol
Rotatable Bond Count:
33
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.9
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