2-(3,4-dimethyl-5-quinoxalin-2-ylthieno[2,3-b]thiophen-2-yl)quinoxaline

C24H16N4S2 — CID 139236163

IUPAC2-(3,4-dimethyl-5-quinoxalin-2-ylthieno[2,3-b]thiophen-2-yl)quinoxaline
SMILESCc1c(-c2cnc3ccccc3n2)sc2sc(-c3cnc4ccccc4n3)c(C)c12
InChIInChI=1S/C24H16N4S2/c1-13-21-14(2)23(20-12-26-16-8-4-6-10-18(16)28-20)30-24(21)29-22(13)19-11-25-15-7-3-5-9-17(15)27-19/h3-12H,1-2H3
InChIKeyONZFNVMRPZVKHZ-UHFFFAOYSA-N
MW424.55 g/mol
LogP6.80
Rot. Bonds2

About 2-(3,4-dimethyl-5-quinoxalin-2-ylthieno[2,3-b]thiophen-2-yl)quinoxaline

2-(3,4-dimethyl-5-quinoxalin-2-ylthieno[2,3-b]thiophen-2-yl)quinoxaline (PubChem CID 139236163) has the molecular formula C24H16N4S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-(3,4-dimethyl-5-quinoxalin-2-ylthieno[2,3-b]thiophen-2-yl)quinoxaline.

Molecular Properties

Compound Name2-(3,4-dimethyl-5-quinoxalin-2-ylthieno[2,3-b]thiophen-2-yl)quinoxaline
PubChem CID139236163
Molecular FormulaC24H16N4S2
Molecular Weight424.55 g/mol
Exact Mass424.08
IUPAC Name2-(3,4-dimethyl-5-quinoxalin-2-ylthieno[2,3-b]thiophen-2-yl)quinoxaline
SMILESCc1c(-c2cnc3ccccc3n2)sc2sc(-c3cnc4ccccc4n3)c(C)c12
InChIInChI=1S/C24H16N4S2/c1-13-21-14(2)23(20-12-26-16-8-4-6-10-18(16)28-20)30-24(21)29-22(13)19-11-25-15-7-3-5-9-17(15)27-19/h3-12H,1-2H3
InChIKeyONZFNVMRPZVKHZ-UHFFFAOYSA-N
XLogP6.80
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-5-quinoxalin-2-ylthieno[2,3-b]thiophen-2-yl)quinoxaline?
The IUPAC name of 2-(3,4-dimethyl-5-quinoxalin-2-ylthieno[2,3-b]thiophen-2-yl)quinoxaline (CID 139236163) is 2-(3,4-dimethyl-5-quinoxalin-2-ylthieno[2,3-b]thiophen-2-yl)quinoxaline.
What is the SMILES notation for 2-(3,4-dimethyl-5-quinoxalin-2-ylthieno[2,3-b]thiophen-2-yl)quinoxaline?
The canonical SMILES for 2-(3,4-dimethyl-5-quinoxalin-2-ylthieno[2,3-b]thiophen-2-yl)quinoxaline is Cc1c(-c2cnc3ccccc3n2)sc2sc(-c3cnc4ccccc4n3)c(C)c12.
What is the InChIKey of 2-(3,4-dimethyl-5-quinoxalin-2-ylthieno[2,3-b]thiophen-2-yl)quinoxaline?
The InChIKey is ONZFNVMRPZVKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4S2/c1-13-21-14(2)23(20-12-26-16-8-4-6-10-18(16)28-20)30-24(21)29-22(13)19-11-25-15-7-3-5-9-17(15)27-19/h3-12H,1-2H3.
What are the key properties of 2-(3,4-dimethyl-5-quinoxalin-2-ylthieno[2,3-b]thiophen-2-yl)quinoxaline?
2-(3,4-dimethyl-5-quinoxalin-2-ylthieno[2,3-b]thiophen-2-yl)quinoxaline has a molecular weight of 424.55 g/mol, XLogP of 6.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-5-quinoxalin-2-ylthieno[2,3-b]thiophen-2-yl)quinoxaline is sourced from PubChem (CID 139236163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).