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

C28H20N2S3 — CID 59779487

IUPAC5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine
SMILESCc1ccc(-c2sc(-c3ccc(C)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)s1
InChIInChI=1S/C28H20N2S3/c1-17-13-15-21(31-17)27-25-26(28(33-27)22-16-14-18(2)32-22)30-24(20-11-7-4-8-12-20)23(29-25)19-9-5-3-6-10-19/h3-16H,1-2H3
InChIKeyNDDOCEHJYVWYJR-UHFFFAOYSA-N
MW480.68 g/mol
LogP9.10
Rot. Bonds4

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

5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine (PubChem CID 59779487) has the molecular formula C28H20N2S3 and a molecular weight of 480.68 g/mol. Its IUPAC name is 5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine.

Molecular Properties

Compound Name5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine
PubChem CID59779487
Molecular FormulaC28H20N2S3
Molecular Weight480.68 g/mol
Exact Mass480.08
IUPAC Name5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine
SMILESCc1ccc(-c2sc(-c3ccc(C)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)s1
InChIInChI=1S/C28H20N2S3/c1-17-13-15-21(31-17)27-25-26(28(33-27)22-16-14-18(2)32-22)30-24(20-11-7-4-8-12-20)23(29-25)19-9-5-3-6-10-19/h3-16H,1-2H3
InChIKeyNDDOCEHJYVWYJR-UHFFFAOYSA-N
XLogP9.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.68
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine?
The IUPAC name of 5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine (CID 59779487) is 5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine.
What is the SMILES notation for 5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine?
The canonical SMILES for 5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine is Cc1ccc(-c2sc(-c3ccc(C)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)s1.
What is the InChIKey of 5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine?
The InChIKey is NDDOCEHJYVWYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2S3/c1-17-13-15-21(31-17)27-25-26(28(33-27)22-16-14-18(2)32-22)30-24(20-11-7-4-8-12-20)23(29-25)19-9-5-3-6-10-19/h3-16H,1-2H3.
What are the key properties of 5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine?
5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine has a molecular weight of 480.68 g/mol, XLogP of 9.10, 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-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine is sourced from PubChem (CID 59779487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).