[5-[2,6-bis(trimethylstannyl)-4-(5-tripropylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]-tripropylsilane

C42H66S4Si2Sn2 — CID 139035997

About [5-[2,6-bis(trimethylstannyl)-4-(5-tripropylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]-tripropylsilane

[5-[2,6-bis(trimethylstannyl)-4-(5-tripropylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]-tripropylsilane (PubChem CID 139035997) has the molecular formula C42H66S4Si2Sn2 and a molecular weight of 992.85 g/mol. Its IUPAC name is [5-[2,6-bis(trimethylstannyl)-4-(5-tripropylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]-tripropylsilane.

Molecular Properties

• Compound Name: [5-[2,6-bis(trimethylstannyl)-4-(5-tripropylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]-tripropylsilane
• PubChem CID: 139035997
• Molecular Formula: C42H66S4Si2Sn2
• Molecular Weight: 992.85 g/mol
• Exact Mass: 994.16
• IUPAC Name: [5-[2,6-bis(trimethylstannyl)-4-(5-tripropylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]-tripropylsilane
• SMILES: CCC[Si](CCC)(CCC)c1ccc(-c2c3cc([Sn](C)(C)C)sc3c(-c3ccc([Si](CCC)(CCC)CCC)s3)c3cc([Sn](C)(C)C)sc23)s1
• InChI: InChI=1S/C36H48S4Si2.6CH3.2Sn/c1-7-21-41(22-8-2,23-9-3)31-15-13-29(39-31)33-27-17-19-38-36(27)34(28-18-20-37-35(28)33)30-14-16-32(40-30)42(24-10-4,25-11-5)26-12-6;;;;;;;;/h13-18H,7-12,21-26H2,1-6H3;6*1H3
• InChIKey: GCHIXOGLTKRECD-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 0.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	992.85
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[2,6-bis(trimethylstannyl)-4-(5-tripropylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]-tripropylsilane?

The IUPAC name of [5-[2,6-bis(trimethylstannyl)-4-(5-tripropylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]-tripropylsilane (CID 139035997) is [5-[2,6-bis(trimethylstannyl)-4-(5-tripropylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]-tripropylsilane.

What is the SMILES notation for [5-[2,6-bis(trimethylstannyl)-4-(5-tripropylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]-tripropylsilane?

The canonical SMILES for [5-[2,6-bis(trimethylstannyl)-4-(5-tripropylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]-tripropylsilane is CCC[Si](CCC)(CCC)c1ccc(-c2c3cc([Sn](C)(C)C)sc3c(-c3ccc([Si](CCC)(CCC)CCC)s3)c3cc([Sn](C)(C)C)sc23)s1.

What is the InChIKey of [5-[2,6-bis(trimethylstannyl)-4-(5-tripropylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]-tripropylsilane?

The InChIKey is GCHIXOGLTKRECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48S4Si2.6CH3.2Sn/c1-7-21-41(22-8-2,23-9-3)31-15-13-29(39-31)33-27-17-19-38-36(27)34(28-18-20-37-35(28)33)30-14-16-32(40-30)42(24-10-4,25-11-5)26-12-6;;;;;;;;/h13-18H,7-12,21-26H2,1-6H3;6*1H3;;.

What are the key properties of [5-[2,6-bis(trimethylstannyl)-4-(5-tripropylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]-tripropylsilane?

[5-[2,6-bis(trimethylstannyl)-4-(5-tripropylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]-tripropylsilane has a molecular weight of 992.85 g/mol, XLogP of 14.44, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[2,6-bis(trimethylstannyl)-4-(5-tripropylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]-tripropylsilane is sourced from PubChem (CID 139035997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).