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

C22H16N2O4S2 — CID 18352143

IUPAC5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]pyridine
SMILESc1cc(-c2ccc(-c3scc4c3OCCO4)cn2)ncc1-c1scc2c1OCCO2
InChIInChI=1S/C22H16N2O4S2/c1-3-15(23-9-13(1)21-19-17(11-29-21)25-5-7-27-19)16-4-2-14(10-24-16)22-20-18(12-30-22)26-6-8-28-20/h1-4,9-12H,5-8H2
InChIKeyCTMLRFOQKZLRFC-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.14
Rot. Bonds3

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

5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]pyridine (PubChem CID 18352143) has the molecular formula C22H16N2O4S2 and a molecular weight of 436.51 g/mol. Its IUPAC name is 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]pyridine
PubChem CID18352143
Molecular FormulaC22H16N2O4S2
Molecular Weight436.51 g/mol
Exact Mass436.06
IUPAC Name5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]pyridine
SMILESc1cc(-c2ccc(-c3scc4c3OCCO4)cn2)ncc1-c1scc2c1OCCO2
InChIInChI=1S/C22H16N2O4S2/c1-3-15(23-9-13(1)21-19-17(11-29-21)25-5-7-27-19)16-4-2-14(10-24-16)22-20-18(12-30-22)26-6-8-28-20/h1-4,9-12H,5-8H2
InChIKeyCTMLRFOQKZLRFC-UHFFFAOYSA-N
XLogP5.14
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]pyridine?
The IUPAC name of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]pyridine (CID 18352143) is 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]pyridine.
What is the SMILES notation for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]pyridine?
The canonical SMILES for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]pyridine is c1cc(-c2ccc(-c3scc4c3OCCO4)cn2)ncc1-c1scc2c1OCCO2.
What is the InChIKey of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]pyridine?
The InChIKey is CTMLRFOQKZLRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4S2/c1-3-15(23-9-13(1)21-19-17(11-29-21)25-5-7-27-19)16-4-2-14(10-24-16)22-20-18(12-30-22)26-6-8-28-20/h1-4,9-12H,5-8H2.
What are the key properties of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]pyridine?
5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]pyridine has a molecular weight of 436.51 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]pyridine is sourced from PubChem (CID 18352143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).