2,3-bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline

C28H16F2N2S2 — CID 58500688

IUPAC2,3-bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline
SMILESFc1ccc(-c2nc3c(-c4cccs4)ccc(-c4cccs4)c3nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H16F2N2S2/c29-19-9-5-17(6-10-19)25-26(18-7-11-20(30)12-8-18)32-28-22(24-4-2-16-34-24)14-13-21(27(28)31-25)23-3-1-15-33-23/h1-16H
InChIKeyWDCJAFWVTIRPJS-UHFFFAOYSA-N
MW482.58 g/mol
LogP8.70
Rot. Bonds4

About 2,3-bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline

2,3-bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline (PubChem CID 58500688) has the molecular formula C28H16F2N2S2 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline
PubChem CID58500688
Molecular FormulaC28H16F2N2S2
Molecular Weight482.58 g/mol
Exact Mass482.07
IUPAC Name2,3-bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline
SMILESFc1ccc(-c2nc3c(-c4cccs4)ccc(-c4cccs4)c3nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H16F2N2S2/c29-19-9-5-17(6-10-19)25-26(18-7-11-20(30)12-8-18)32-28-22(24-4-2-16-34-24)14-13-21(27(28)31-25)23-3-1-15-33-23/h1-16H
InChIKeyWDCJAFWVTIRPJS-UHFFFAOYSA-N
XLogP8.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline?
The IUPAC name of 2,3-bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline (CID 58500688) is 2,3-bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline?
The canonical SMILES for 2,3-bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline is Fc1ccc(-c2nc3c(-c4cccs4)ccc(-c4cccs4)c3nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2,3-bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline?
The InChIKey is WDCJAFWVTIRPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F2N2S2/c29-19-9-5-17(6-10-19)25-26(18-7-11-20(30)12-8-18)32-28-22(24-4-2-16-34-24)14-13-21(27(28)31-25)23-3-1-15-33-23/h1-16H.
What are the key properties of 2,3-bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline?
2,3-bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline has a molecular weight of 482.58 g/mol, XLogP of 8.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline is sourced from PubChem (CID 58500688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).