2,6,14-Triiodo-9,10-dihydro-9,10-[1,2]benzenoanthracene

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Product Information

Molecular Weight
632.01
Synonyms
2,6,14-triiodotriene; 2,6,14-Triiodo-9,10-dihydro-9,10-o-benzenoanthracene; 4,11,17-Triiodopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene
IUPAC Name
4,11,17-triiodopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene
SMILES
C1=CC2=C(C=C1I)C3C4=C(C2C5=C3C=C(C=C5)I)C=C(C=C4)I
InChI
InChI=1S/C20H11I3/c21-10-3-6-15-16(7-10)19-13-4-1-11(22)8-17(13)20(15)18-9-12(23)2-5-14(18)19/h1-9,19-20H
InChI Key
GSYXYJXUUVRGFN-UHFFFAOYSA-N
Purity
97%

Computed Properties

XLogP3
6.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
631.7995
Monoisotopic Mass
631.7995
Topological Polar Surface Area
0
Heavy Atom Count
23
Formal Charge
0
Complexity
438
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2017136450-A2 Compounds and methods of treating rna-mediated diseases 2016-02-01
WO-2017053982-A1 Triptycene derivatives for nucleic acid junction stabilization 2015-09-24
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