5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine

C32H24N2O4S6 — CID 5246969

IUPAC5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine
SMILESc1cc(SCc2ccc(-c3ccc(CSc4ccsc4-c4scc5c4OCCO5)cn3)nc2)c(-c2scc3c2OCCO3)s1
InChIInChI=1S/C32H24N2O4S6/c1-3-21(33-13-19(1)15-41-25-5-11-39-29(25)31-27-23(17-43-31)35-7-9-37-27)22-4-2-20(14-34-22)16-42-26-6-12-40-30(26)32-28-24(18-44-32)36-8-10-38-28/h1-6,11-14,17-18H,7-10,15-16H2
InChIKeyJLNYZNFVHUXFPX-UHFFFAOYSA-N
MW692.96 g/mol
LogP9.85
Rot. Bonds9

About 5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine

5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine (PubChem CID 5246969) has the molecular formula C32H24N2O4S6 and a molecular weight of 692.96 g/mol. Its IUPAC name is 5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine
PubChem CID5246969
Molecular FormulaC32H24N2O4S6
Molecular Weight692.96 g/mol
Exact Mass692.01
IUPAC Name5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine
SMILESc1cc(SCc2ccc(-c3ccc(CSc4ccsc4-c4scc5c4OCCO5)cn3)nc2)c(-c2scc3c2OCCO3)s1
InChIInChI=1S/C32H24N2O4S6/c1-3-21(33-13-19(1)15-41-25-5-11-39-29(25)31-27-23(17-43-31)35-7-9-37-27)22-4-2-20(14-34-22)16-42-26-6-12-40-30(26)32-28-24(18-44-32)36-8-10-38-28/h1-6,11-14,17-18H,7-10,15-16H2
InChIKeyJLNYZNFVHUXFPX-UHFFFAOYSA-N
XLogP9.85
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500692.96
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine with MolForge

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Related Compounds

5,5'-Bis(3,4-(ethylenedioxy)thien-2-yl)2,2'-bipyridine
CID 18352143
[2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 153435260
4-[4-[5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-1,1,1-trifluoro-4-iminobut-2-en-2-amine
CID 161065780
(Z)-1-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-en-1-amine
CID 164181453
4-[2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]-2-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]-2-pyridinyl]pyridine
CID 90701975
5,7-Di-2-pyridyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 90703678
5-Methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine
CID 134948007
2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
CID 139180903
2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
CID 139180904
5-Bromo-5'-(3,4-(ethylenedioxy)thien-2-yl)2,2'-bipyridine
CID 162640097
Iron(2+);methanol;bis(4-(5-pyridin-4-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine);diisothiocyanate
CID 168343993
4-[(E)-2-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]ethenyl]-2-[4-[(E)-2-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]ethenyl]-2-pyridinyl]pyridine
CID 101563264

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine?
The IUPAC name of 5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine (CID 5246969) is 5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine?
The canonical SMILES for 5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine is c1cc(SCc2ccc(-c3ccc(CSc4ccsc4-c4scc5c4OCCO5)cn3)nc2)c(-c2scc3c2OCCO3)s1.
What is the InChIKey of 5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine?
The InChIKey is JLNYZNFVHUXFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O4S6/c1-3-21(33-13-19(1)15-41-25-5-11-39-29(25)31-27-23(17-43-31)35-7-9-37-27)22-4-2-20(14-34-22)16-42-26-6-12-40-30(26)32-28-24(18-44-32)36-8-10-38-28/h1-6,11-14,17-18H,7-10,15-16H2.
What are the key properties of 5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine?
5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine has a molecular weight of 692.96 g/mol, XLogP of 9.85, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 5246969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).