5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine

C26H14Br2N2S3 — CID 58273752

IUPAC5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine
SMILESBrc1ccc(-c2sc(-c3ccc(Br)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)s1
InChIInChI=1S/C26H14Br2N2S3/c27-19-13-11-17(31-19)25-23-24(26(33-25)18-12-14-20(28)32-18)30-22(16-9-5-2-6-10-16)21(29-23)15-7-3-1-4-8-15/h1-14H
InChIKeyXQKPHAUKTOEPTD-UHFFFAOYSA-N
MW610.42 g/mol
LogP10.01
Rot. Bonds4

About 5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine

5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine (PubChem CID 58273752) has the molecular formula C26H14Br2N2S3 and a molecular weight of 610.42 g/mol. Its IUPAC name is 5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine.

Molecular Properties

Compound Name5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine
PubChem CID58273752
Molecular FormulaC26H14Br2N2S3
Molecular Weight610.42 g/mol
Exact Mass607.87
IUPAC Name5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine
SMILESBrc1ccc(-c2sc(-c3ccc(Br)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)s1
InChIInChI=1S/C26H14Br2N2S3/c27-19-13-11-17(31-19)25-23-24(26(33-25)18-12-14-20(28)32-18)30-22(16-9-5-2-6-10-16)21(29-23)15-7-3-1-4-8-15/h1-14H
InChIKeyXQKPHAUKTOEPTD-UHFFFAOYSA-N
XLogP10.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.42
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine 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 5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine?
The IUPAC name of 5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine (CID 58273752) is 5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine.
What is the SMILES notation for 5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine?
The canonical SMILES for 5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine is Brc1ccc(-c2sc(-c3ccc(Br)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)s1.
What is the InChIKey of 5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine?
The InChIKey is XQKPHAUKTOEPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14Br2N2S3/c27-19-13-11-17(31-19)25-23-24(26(33-25)18-12-14-20(28)32-18)30-22(16-9-5-2-6-10-16)21(29-23)15-7-3-1-4-8-15/h1-14H.
What are the key properties of 5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine?
5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine has a molecular weight of 610.42 g/mol, XLogP of 10.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine is sourced from PubChem (CID 58273752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).