triethyl-[2-[4-(5-triethylsilylthieno[3,2-b]thiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thieno[3,2-b]thiophen-5-yl]silane

C30H36N2S5Si2 — CID 167359462

About triethyl-[2-[4-(5-triethylsilylthieno[3,2-b]thiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thieno[3,2-b]thiophen-5-yl]silane

triethyl-[2-[4-(5-triethylsilylthieno[3,2-b]thiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thieno[3,2-b]thiophen-5-yl]silane (PubChem CID 167359462) has the molecular formula C30H36N2S5Si2 and a molecular weight of 641.14 g/mol. Its IUPAC name is triethyl-[2-[4-(5-triethylsilylthieno[3,2-b]thiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thieno[3,2-b]thiophen-5-yl]silane.

Molecular Properties

• Compound Name: triethyl-[2-[4-(5-triethylsilylthieno[3,2-b]thiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thieno[3,2-b]thiophen-5-yl]silane
• PubChem CID: 167359462
• Molecular Formula: C30H36N2S5Si2
• Molecular Weight: 641.14 g/mol
• Exact Mass: 640.10
• IUPAC Name: triethyl-[2-[4-(5-triethylsilylthieno[3,2-b]thiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thieno[3,2-b]thiophen-5-yl]silane
• SMILES: CC[Si](CC)(CC)c1cc2sc(-c3ccc(-c4cc5sc([Si](CC)(CC)CC)cc5s4)c4nsnc34)cc2s1
• InChI: InChI=1S/C30H36N2S5Si2/c1-7-38(8-2,9-3)27-17-25-23(35-27)15-21(33-25)19-13-14-20(30-29(19)31-37-32-30)22-16-24-26(34-22)18-28(36-24)39(10-4,11-5)12-6/h13-18H,7-12H2,1-6H3
• InChIKey: VARGBOAXDQQZTK-UHFFFAOYSA-N
• XLogP: 11.01
• TPSA: 25.78 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.14
LogP ≤ 5	11.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[4-(5-triethylsilylthieno[3,2-b]thiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thieno[3,2-b]thiophen-5-yl]silane?

The IUPAC name of triethyl-[2-[4-(5-triethylsilylthieno[3,2-b]thiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thieno[3,2-b]thiophen-5-yl]silane (CID 167359462) is triethyl-[2-[4-(5-triethylsilylthieno[3,2-b]thiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thieno[3,2-b]thiophen-5-yl]silane.

What is the SMILES notation for triethyl-[2-[4-(5-triethylsilylthieno[3,2-b]thiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thieno[3,2-b]thiophen-5-yl]silane?

The canonical SMILES for triethyl-[2-[4-(5-triethylsilylthieno[3,2-b]thiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thieno[3,2-b]thiophen-5-yl]silane is CC[Si](CC)(CC)c1cc2sc(-c3ccc(-c4cc5sc([Si](CC)(CC)CC)cc5s4)c4nsnc34)cc2s1.

What is the InChIKey of triethyl-[2-[4-(5-triethylsilylthieno[3,2-b]thiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thieno[3,2-b]thiophen-5-yl]silane?

The InChIKey is VARGBOAXDQQZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2S5Si2/c1-7-38(8-2,9-3)27-17-25-23(35-27)15-21(33-25)19-13-14-20(30-29(19)31-37-32-30)22-16-24-26(34-22)18-28(36-24)39(10-4,11-5)12-6/h13-18H,7-12H2,1-6H3.

What are the key properties of triethyl-[2-[4-(5-triethylsilylthieno[3,2-b]thiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thieno[3,2-b]thiophen-5-yl]silane?

triethyl-[2-[4-(5-triethylsilylthieno[3,2-b]thiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thieno[3,2-b]thiophen-5-yl]silane has a molecular weight of 641.14 g/mol, XLogP of 11.01, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[2-[4-(5-triethylsilylthieno[3,2-b]thiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thieno[3,2-b]thiophen-5-yl]silane is sourced from PubChem (CID 167359462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).