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

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

Name: 2,6,14-Triiodo-9,10-dihydro-9,10-[1,2]benzenoanthracene
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Weight:

632.01

CAS Number:

910324-13-9

Catalog Number:

910324-13-9

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

631.7995

Monoisotopic Mass

631.7995

Topological Polar Surface Area

Heavy Atom Count

Formal Charge

Complexity

438

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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