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

C72H102N2O8S2 — CID 59510333

IUPAC2,3-bis(3,4-didecoxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline
SMILESCCCCCCCCCCOc1ccc(-c2nc3c(-c4scc5c4OCCO5)ccc(-c4scc5c4OCCO5)c3nc2-c2ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c2)cc1OCCCCCCCCCC
InChIInChI=1S/C72H102N2O8S2/c1-5-9-13-17-21-25-29-33-43-75-59-41-37-55(51-61(59)77-45-35-31-27-23-19-15-11-7-3)65-66(56-38-42-60(76-44-34-30-26-22-18-14-10-6-2)62(52-56)78-46-36-32-28-24-20-16-12-8-4)74-68-58(72-70-64(54-84-72)80-48-50-82-70)40-39-57(67(68)73-65)71-69-63(53-83-71)79-47-49-81-69/h37-42,51-54H,5-36,43-50H2,1-4H3
InChIKeySGDWDVPGBRNDCR-UHFFFAOYSA-N
MW1187.75 g/mol
LogP22.04
Rot. Bonds44

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

2,3-bis(3,4-didecoxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline (PubChem CID 59510333) has the molecular formula C72H102N2O8S2 and a molecular weight of 1187.75 g/mol. Its IUPAC name is 2,3-bis(3,4-didecoxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(3,4-didecoxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline
PubChem CID59510333
Molecular FormulaC72H102N2O8S2
Molecular Weight1187.75 g/mol
Exact Mass1186.71
IUPAC Name2,3-bis(3,4-didecoxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline
SMILESCCCCCCCCCCOc1ccc(-c2nc3c(-c4scc5c4OCCO5)ccc(-c4scc5c4OCCO5)c3nc2-c2ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c2)cc1OCCCCCCCCCC
InChIInChI=1S/C72H102N2O8S2/c1-5-9-13-17-21-25-29-33-43-75-59-41-37-55(51-61(59)77-45-35-31-27-23-19-15-11-7-3)65-66(56-38-42-60(76-44-34-30-26-22-18-14-10-6-2)62(52-56)78-46-36-32-28-24-20-16-12-8-4)74-68-58(72-70-64(54-84-72)80-48-50-82-70)40-39-57(67(68)73-65)71-69-63(53-83-71)79-47-49-81-69/h37-42,51-54H,5-36,43-50H2,1-4H3
InChIKeySGDWDVPGBRNDCR-UHFFFAOYSA-N
XLogP22.04
TPSA99.62 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds44
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001187.75
LogP ≤ 522.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3,4-didecoxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline?
The IUPAC name of 2,3-bis(3,4-didecoxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline (CID 59510333) is 2,3-bis(3,4-didecoxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline.
What is the SMILES notation for 2,3-bis(3,4-didecoxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline?
The canonical SMILES for 2,3-bis(3,4-didecoxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline is CCCCCCCCCCOc1ccc(-c2nc3c(-c4scc5c4OCCO5)ccc(-c4scc5c4OCCO5)c3nc2-c2ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c2)cc1OCCCCCCCCCC.
What is the InChIKey of 2,3-bis(3,4-didecoxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline?
The InChIKey is SGDWDVPGBRNDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H102N2O8S2/c1-5-9-13-17-21-25-29-33-43-75-59-41-37-55(51-61(59)77-45-35-31-27-23-19-15-11-7-3)65-66(56-38-42-60(76-44-34-30-26-22-18-14-10-6-2)62(52-56)78-46-36-32-28-24-20-16-12-8-4)74-68-58(72-70-64(54-84-72)80-48-50-82-70)40-39-57(67(68)73-65)71-69-63(53-83-71)79-47-49-81-69/h37-42,51-54H,5-36,43-50H2,1-4H3.
What are the key properties of 2,3-bis(3,4-didecoxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline?
2,3-bis(3,4-didecoxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline has a molecular weight of 1187.75 g/mol, XLogP of 22.04, 44 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3,4-didecoxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline is sourced from PubChem (CID 59510333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).