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

C44H32N4O8S4 — CID 139180903

IUPAC2-(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
SMILESc1ccc(-c2sc(-c3cccc(-c4scc5c4OCCO5)n3)c3c2OCCO3)nc1.c1ccc(-c2sc(-c3cccc(-c4scc5c4OCCO5)n3)c3c2OCCO3)nc1
InChIInChI=1S/2C22H16N2O4S2/c2*1-2-7-23-13(4-1)21-18-19(28-11-10-27-18)22(30-21)15-6-3-5-14(24-15)20-17-16(12-29-20)25-8-9-26-17/h2*1-7,12H,8-11H2
InChIKeyUCNZAPQCNHKEHP-UHFFFAOYSA-N
MW873.03 g/mol
LogP10.29
Rot. Bonds6

About 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

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 (PubChem CID 139180903) has the molecular formula C44H32N4O8S4 and a molecular weight of 873.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID139180903
Molecular FormulaC44H32N4O8S4
Molecular Weight873.03 g/mol
Exact Mass872.11
IUPAC Name2-(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
SMILESc1ccc(-c2sc(-c3cccc(-c4scc5c4OCCO5)n3)c3c2OCCO3)nc1.c1ccc(-c2sc(-c3cccc(-c4scc5c4OCCO5)n3)c3c2OCCO3)nc1
InChIInChI=1S/2C22H16N2O4S2/c2*1-2-7-23-13(4-1)21-18-19(28-11-10-27-18)22(30-21)15-6-3-5-14(24-15)20-17-16(12-29-20)25-8-9-26-17/h2*1-7,12H,8-11H2
InChIKeyUCNZAPQCNHKEHP-UHFFFAOYSA-N
XLogP10.29
TPSA125.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500873.03
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

5,5'-Bis(3,4-(ethylenedioxy)thien-2-yl)2,2'-bipyridine
CID 18352143
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
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
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
Iron(2+);methanol;bis(4-(5-pyridin-4-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine);diisothiocyanate
CID 168343993
5-[5-(7-Methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[5-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]pyridine
CID 20607075
2-Pyridin-2-yl-5-[5-(6-pyridin-2-yl-3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine
CID 23432463
2-Pyridin-2-yl-5-[5-(6-pyridin-2-yl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine
CID 23432469
2-Pyridin-2-yl-6-[5-(6-pyridin-2-yl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine
CID 23432474
Chloroplatinum(1+);5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[3-[5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine
CID 57603893
4-(5-Hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2-[4-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2-pyridinyl]pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium(2+);diisothiocyanate
CID 57827868

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2sc(-c3cccc(-c4scc5c4OCCO5)n3)c3c2OCCO3)nc1.c1ccc(-c2sc(-c3cccc(-c4scc5c4OCCO5)n3)c3c2OCCO3)nc1.
What is the InChIKey of 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?
The InChIKey is UCNZAPQCNHKEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16N2O4S2/c2*1-2-7-23-13(4-1)21-18-19(28-11-10-27-18)22(30-21)15-6-3-5-14(24-15)20-17-16(12-29-20)25-8-9-26-17/h2*1-7,12H,8-11H2.
What are the key properties of 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?
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 has a molecular weight of 873.03 g/mol, XLogP of 10.29, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139180903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).