7-(5-butan-2-ylthiophen-2-yl)-5-[5-(2-methylbutan-2-yl)thiophen-2-yl]-2,3-diphenylthieno[3,4-b]pyrazine

C35H34N2S3 — CID 70666233

IUPAC7-(5-butan-2-ylthiophen-2-yl)-5-[5-(2-methylbutan-2-yl)thiophen-2-yl]-2,3-diphenylthieno[3,4-b]pyrazine
SMILESCCC(C)c1ccc(-c2sc(-c3ccc(C(C)(C)CC)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)s1
InChIInChI=1S/C35H34N2S3/c1-6-22(3)25-18-19-26(38-25)33-31-32(34(40-33)27-20-21-28(39-27)35(4,5)7-2)37-30(24-16-12-9-13-17-24)29(36-31)23-14-10-8-11-15-23/h8-22H,6-7H2,1-5H3
InChIKeyXWCJWJGZXMFFFZ-UHFFFAOYSA-N
MW578.87 g/mol
LogP11.68
Rot. Bonds8

About 7-(5-butan-2-ylthiophen-2-yl)-5-[5-(2-methylbutan-2-yl)thiophen-2-yl]-2,3-diphenylthieno[3,4-b]pyrazine

7-(5-butan-2-ylthiophen-2-yl)-5-[5-(2-methylbutan-2-yl)thiophen-2-yl]-2,3-diphenylthieno[3,4-b]pyrazine (PubChem CID 70666233) has the molecular formula C35H34N2S3 and a molecular weight of 578.87 g/mol. Its IUPAC name is 7-(5-butan-2-ylthiophen-2-yl)-5-[5-(2-methylbutan-2-yl)thiophen-2-yl]-2,3-diphenylthieno[3,4-b]pyrazine.

Molecular Properties

Compound Name7-(5-butan-2-ylthiophen-2-yl)-5-[5-(2-methylbutan-2-yl)thiophen-2-yl]-2,3-diphenylthieno[3,4-b]pyrazine
PubChem CID70666233
Molecular FormulaC35H34N2S3
Molecular Weight578.87 g/mol
Exact Mass578.19
IUPAC Name7-(5-butan-2-ylthiophen-2-yl)-5-[5-(2-methylbutan-2-yl)thiophen-2-yl]-2,3-diphenylthieno[3,4-b]pyrazine
SMILESCCC(C)c1ccc(-c2sc(-c3ccc(C(C)(C)CC)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)s1
InChIInChI=1S/C35H34N2S3/c1-6-22(3)25-18-19-26(38-25)33-31-32(34(40-33)27-20-21-28(39-27)35(4,5)7-2)37-30(24-16-12-9-13-17-24)29(36-31)23-14-10-8-11-15-23/h8-22H,6-7H2,1-5H3
InChIKeyXWCJWJGZXMFFFZ-UHFFFAOYSA-N
XLogP11.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.87
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-butan-2-ylthiophen-2-yl)-5-[5-(2-methylbutan-2-yl)thiophen-2-yl]-2,3-diphenylthieno[3,4-b]pyrazine?
The IUPAC name of 7-(5-butan-2-ylthiophen-2-yl)-5-[5-(2-methylbutan-2-yl)thiophen-2-yl]-2,3-diphenylthieno[3,4-b]pyrazine (CID 70666233) is 7-(5-butan-2-ylthiophen-2-yl)-5-[5-(2-methylbutan-2-yl)thiophen-2-yl]-2,3-diphenylthieno[3,4-b]pyrazine.
What is the SMILES notation for 7-(5-butan-2-ylthiophen-2-yl)-5-[5-(2-methylbutan-2-yl)thiophen-2-yl]-2,3-diphenylthieno[3,4-b]pyrazine?
The canonical SMILES for 7-(5-butan-2-ylthiophen-2-yl)-5-[5-(2-methylbutan-2-yl)thiophen-2-yl]-2,3-diphenylthieno[3,4-b]pyrazine is CCC(C)c1ccc(-c2sc(-c3ccc(C(C)(C)CC)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)s1.
What is the InChIKey of 7-(5-butan-2-ylthiophen-2-yl)-5-[5-(2-methylbutan-2-yl)thiophen-2-yl]-2,3-diphenylthieno[3,4-b]pyrazine?
The InChIKey is XWCJWJGZXMFFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2S3/c1-6-22(3)25-18-19-26(38-25)33-31-32(34(40-33)27-20-21-28(39-27)35(4,5)7-2)37-30(24-16-12-9-13-17-24)29(36-31)23-14-10-8-11-15-23/h8-22H,6-7H2,1-5H3.
What are the key properties of 7-(5-butan-2-ylthiophen-2-yl)-5-[5-(2-methylbutan-2-yl)thiophen-2-yl]-2,3-diphenylthieno[3,4-b]pyrazine?
7-(5-butan-2-ylthiophen-2-yl)-5-[5-(2-methylbutan-2-yl)thiophen-2-yl]-2,3-diphenylthieno[3,4-b]pyrazine has a molecular weight of 578.87 g/mol, XLogP of 11.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-butan-2-ylthiophen-2-yl)-5-[5-(2-methylbutan-2-yl)thiophen-2-yl]-2,3-diphenylthieno[3,4-b]pyrazine is sourced from PubChem (CID 70666233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).