5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline

C28H30N2O4S2 — CID 123438424

IUPAC5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline
SMILESCC(C)(C)c1sc(-c2ccc(-c3sc(C(C)(C)C)c4c3OCCO4)c3nccnc23)c2c1OCCO2
InChIInChI=1S/C28H30N2O4S2/c1-27(2,3)25-21-19(31-11-13-33-21)23(35-25)15-7-8-16(18-17(15)29-9-10-30-18)24-20-22(34-14-12-32-20)26(36-24)28(4,5)6/h7-10H,11-14H2,1-6H3
InChIKeyBVZCWHKLMXSKIA-UHFFFAOYSA-N
MW522.69 g/mol
LogP7.22
Rot. Bonds2

About 5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline

5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline (PubChem CID 123438424) has the molecular formula C28H30N2O4S2 and a molecular weight of 522.69 g/mol. Its IUPAC name is 5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline.

Molecular Properties

Compound Name5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline
PubChem CID123438424
Molecular FormulaC28H30N2O4S2
Molecular Weight522.69 g/mol
Exact Mass522.16
IUPAC Name5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline
SMILESCC(C)(C)c1sc(-c2ccc(-c3sc(C(C)(C)C)c4c3OCCO4)c3nccnc23)c2c1OCCO2
InChIInChI=1S/C28H30N2O4S2/c1-27(2,3)25-21-19(31-11-13-33-21)23(35-25)15-7-8-16(18-17(15)29-9-10-30-18)24-20-22(34-14-12-32-20)26(36-24)28(4,5)6/h7-10H,11-14H2,1-6H3
InChIKeyBVZCWHKLMXSKIA-UHFFFAOYSA-N
XLogP7.22
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline with MolForge

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Related Compounds

5,5'-Bis(3,4-(ethylenedioxy)thien-2-yl)2,2'-bipyridine
CID 18352143
(2,3-Bis(4-decyloxyphenyl)-5,8-bis(3,4-dimethoxylthiophen-2-yl)quinoxaline)
CID 129824084
(2,3-Bis(4-decyloxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline)
CID 129824108
2,3-Bis(3,4-didecoxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline
CID 59510333
5-[4-[2-(2-Methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline
CID 59805065
5,8-Bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-diphenylpyrido[3,4-b]pyrazine
CID 67989630
2,5-Bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
CID 67989632
4,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-(pyridin-4-yl)-2H-benzo[d][1,2,3]triazole
CID 86679910
5,8-Bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline
CID 101837028
4-(7-Hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]pyridine
CID 102597472
4-[5-(2,4-Diethylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[4-[5-(2,4-diethylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]pyridine
CID 117692383
5-(3,4-Dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline
CID 118437251

Frequently Asked Questions

What is the IUPAC name of 5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline?
The IUPAC name of 5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline (CID 123438424) is 5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline.
What is the SMILES notation for 5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline?
The canonical SMILES for 5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline is CC(C)(C)c1sc(-c2ccc(-c3sc(C(C)(C)C)c4c3OCCO4)c3nccnc23)c2c1OCCO2.
What is the InChIKey of 5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline?
The InChIKey is BVZCWHKLMXSKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4S2/c1-27(2,3)25-21-19(31-11-13-33-21)23(35-25)15-7-8-16(18-17(15)29-9-10-30-18)24-20-22(34-14-12-32-20)26(36-24)28(4,5)6/h7-10H,11-14H2,1-6H3.
What are the key properties of 5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline?
5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline has a molecular weight of 522.69 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)quinoxaline is sourced from PubChem (CID 123438424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).