5-fluoro-8-[2-(8-fluoroquinoxalin-5-yl)thieno[2,3-f][1]benzothiol-6-yl]quinoxaline

C26H12F2N4S2 — CID 177079592

IUPAC5-fluoro-8-[2-(8-fluoroquinoxalin-5-yl)thieno[2,3-f][1]benzothiol-6-yl]quinoxaline
SMILESFc1ccc(-c2cc3cc4sc(-c5ccc(F)c6nccnc56)cc4cc3s2)c2nccnc12
InChIInChI=1S/C26H12F2N4S2/c27-17-3-1-15(23-25(17)31-7-5-29-23)21-11-13-9-20-14(10-19(13)33-21)12-22(34-20)16-2-4-18(28)26-24(16)30-6-8-32-26/h1-12H
InChIKeyLHJAUKINIDSXJV-UHFFFAOYSA-N
MW482.54 g/mol
LogP7.61
Rot. Bonds2

About 5-fluoro-8-[2-(8-fluoroquinoxalin-5-yl)thieno[2,3-f][1]benzothiol-6-yl]quinoxaline

5-fluoro-8-[2-(8-fluoroquinoxalin-5-yl)thieno[2,3-f][1]benzothiol-6-yl]quinoxaline (PubChem CID 177079592) has the molecular formula C26H12F2N4S2 and a molecular weight of 482.54 g/mol. Its IUPAC name is 5-fluoro-8-[2-(8-fluoroquinoxalin-5-yl)thieno[2,3-f][1]benzothiol-6-yl]quinoxaline.

Molecular Properties

Compound Name5-fluoro-8-[2-(8-fluoroquinoxalin-5-yl)thieno[2,3-f][1]benzothiol-6-yl]quinoxaline
PubChem CID177079592
Molecular FormulaC26H12F2N4S2
Molecular Weight482.54 g/mol
Exact Mass482.05
IUPAC Name5-fluoro-8-[2-(8-fluoroquinoxalin-5-yl)thieno[2,3-f][1]benzothiol-6-yl]quinoxaline
SMILESFc1ccc(-c2cc3cc4sc(-c5ccc(F)c6nccnc56)cc4cc3s2)c2nccnc12
InChIInChI=1S/C26H12F2N4S2/c27-17-3-1-15(23-25(17)31-7-5-29-23)21-11-13-9-20-14(10-19(13)33-21)12-22(34-20)16-2-4-18(28)26-24(16)30-6-8-32-26/h1-12H
InChIKeyLHJAUKINIDSXJV-UHFFFAOYSA-N
XLogP7.61
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-8-[2-(8-fluoroquinoxalin-5-yl)thieno[2,3-f][1]benzothiol-6-yl]quinoxaline?
The IUPAC name of 5-fluoro-8-[2-(8-fluoroquinoxalin-5-yl)thieno[2,3-f][1]benzothiol-6-yl]quinoxaline (CID 177079592) is 5-fluoro-8-[2-(8-fluoroquinoxalin-5-yl)thieno[2,3-f][1]benzothiol-6-yl]quinoxaline.
What is the SMILES notation for 5-fluoro-8-[2-(8-fluoroquinoxalin-5-yl)thieno[2,3-f][1]benzothiol-6-yl]quinoxaline?
The canonical SMILES for 5-fluoro-8-[2-(8-fluoroquinoxalin-5-yl)thieno[2,3-f][1]benzothiol-6-yl]quinoxaline is Fc1ccc(-c2cc3cc4sc(-c5ccc(F)c6nccnc56)cc4cc3s2)c2nccnc12.
What is the InChIKey of 5-fluoro-8-[2-(8-fluoroquinoxalin-5-yl)thieno[2,3-f][1]benzothiol-6-yl]quinoxaline?
The InChIKey is LHJAUKINIDSXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12F2N4S2/c27-17-3-1-15(23-25(17)31-7-5-29-23)21-11-13-9-20-14(10-19(13)33-21)12-22(34-20)16-2-4-18(28)26-24(16)30-6-8-32-26/h1-12H.
What are the key properties of 5-fluoro-8-[2-(8-fluoroquinoxalin-5-yl)thieno[2,3-f][1]benzothiol-6-yl]quinoxaline?
5-fluoro-8-[2-(8-fluoroquinoxalin-5-yl)thieno[2,3-f][1]benzothiol-6-yl]quinoxaline has a molecular weight of 482.54 g/mol, XLogP of 7.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-8-[2-(8-fluoroquinoxalin-5-yl)thieno[2,3-f][1]benzothiol-6-yl]quinoxaline is sourced from PubChem (CID 177079592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).