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288569-81-3 | Triphenylene, 2,3,6,7,10,11-hexakis(tetradecyloxy)-
CAS No: 288569-81-3 Catalog No: AG002WTX MDL No:
Product Description
Catalog Number:
AG002WTX
Chemical Name:
Triphenylene, 2,3,6,7,10,11-hexakis(tetradecyloxy)-
CAS Number:
288569-81-3
Molecular Formula:
C102H180O6
Molecular Weight:
1502.5170
IUPAC Name:
2,3,6,7,10,11-hexa(tetradecoxy)triphenylene
InChI:
InChI=1S/C102H180O6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-103-97-85-91-92(86-98(97)104-80-74-68-62-56-50-44-38-32-26-20-14-8-2)94-88-100(106-82-76-70-64-58-52-46-40-34-28-22-16-10-4)102(108-84-78-72-66-60-54-48-42-36-30-24-18-12-6)90-96(94)95-89-101(107-83-77-71-65-59-53-47-41-35-29-23-17-11-5)99(87-93(91)95)105-81-75-69-63-57-51-45-39-33-27-21-15-9-3/h85-90H,7-84H2,1-6H3
InChI Key:
ZSHXMGYCMOTLLW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCCCCCC)c1cc(OCCCCCCCCCCCCCC)c(cc1c1c2cc(OCCCCCCCCCCCCCC)c(c1)OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC
Properties
Complexity:
1470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1502.381g/mol
Formal Charge:
0
Heavy Atom Count:
108
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1502.556g/mol
Monoisotopic Mass:
1501.378g/mol
Rotatable Bond Count:
84
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
44.7
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