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

C26H20N2O4S2 — CID 90701975

IUPAC4-[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
SMILESC(=Cc1scc2c1OCCO2)c1ccnc(-c2cc(C=Cc3scc4c3OCCO4)ccn2)c1
InChIInChI=1S/C26H20N2O4S2/c1(3-23-25-21(15-33-23)29-9-11-31-25)17-5-7-27-19(13-17)20-14-18(6-8-28-20)2-4-24-26-22(16-34-24)30-10-12-32-26/h1-8,13-16H,9-12H2
InChIKeyZNZJAVXPNWIPQB-UHFFFAOYSA-N
MW488.59 g/mol
LogP6.15
Rot. Bonds5

About 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

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 (PubChem CID 90701975) has the molecular formula C26H20N2O4S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID90701975
Molecular FormulaC26H20N2O4S2
Molecular Weight488.59 g/mol
Exact Mass488.09
IUPAC Name4-[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
SMILESC(=Cc1scc2c1OCCO2)c1ccnc(-c2cc(C=Cc3scc4c3OCCO4)ccn2)c1
InChIInChI=1S/C26H20N2O4S2/c1(3-23-25-21(15-33-23)29-9-11-31-25)17-5-7-27-19(13-17)20-14-18(6-8-28-20)2-4-24-26-22(16-34-24)30-10-12-32-26/h1-8,13-16H,9-12H2
InChIKeyZNZJAVXPNWIPQB-UHFFFAOYSA-N
XLogP6.15
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

5,5'-Bis(3,4-(ethylenedioxy)thien-2-yl)2,2'-bipyridine
CID 18352143
2-(2,4-Difluorophenyl)-4-(7-octyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
CID 56642312
4-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]-2-[(E)-1-[2-methyl-5-(trifluoromethyl)phenyl]prop-1-en-2-yl]pyridine
CID 145553100
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C(=Cc1scc2c1OCCO2)c1ccnc(-c2cc(C=Cc3scc4c3OCCO4)ccn2)c1.
What is the InChIKey of 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?
The InChIKey is ZNZJAVXPNWIPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4S2/c1(3-23-25-21(15-33-23)29-9-11-31-25)17-5-7-27-19(13-17)20-14-18(6-8-28-20)2-4-24-26-22(16-34-24)30-10-12-32-26/h1-8,13-16H,9-12H2.
What are the key properties of 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?
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 has a molecular weight of 488.59 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90701975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).