[2,4-bis[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane

C38H36O4S6Si2 — CID 101401030

About [2,4-bis[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane

[2,4-bis[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane (PubChem CID 101401030) has the molecular formula C38H36O4S6Si2 and a molecular weight of 805.28 g/mol. Its IUPAC name is [2,4-bis[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [2,4-bis[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane
• PubChem CID: 101401030
• Molecular Formula: C38H36O4S6Si2
• Molecular Weight: 805.28 g/mol
• Exact Mass: 804.05
• IUPAC Name: [2,4-bis[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane
• SMILES: C[Si](C)(C)C1=C(c2ccc(-c3ccc(-c4scc5c4OCCO5)s3)s2)C([Si](C)(C)C)=C1c1ccc(-c2ccc(-c3scc4c3OCCO4)s2)s1
• InChI: InChI=1S/C38H36O4S6Si2/c1-49(2,3)37-31(27-11-7-23(45-27)25-9-13-29(47-25)35-33-21(19-43-35)39-15-17-41-33)38(50(4,5)6)32(37)28-12-8-24(46-28)26-10-14-30(48-26)36-34-22(20-44-36)40-16-18-42-34/h7-14,19-20H,15-18H2,1-6H3
• InChIKey: KZJPPLPDWFBEJQ-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 36.92 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.28
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2,4-bis[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane?

The IUPAC name of [2,4-bis[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane (CID 101401030) is [2,4-bis[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane.

What is the SMILES notation for [2,4-bis[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane?

The canonical SMILES for [2,4-bis[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane is C[Si](C)(C)C1=C(c2ccc(-c3ccc(-c4scc5c4OCCO5)s3)s2)C([Si](C)(C)C)=C1c1ccc(-c2ccc(-c3scc4c3OCCO4)s2)s1.

What is the InChIKey of [2,4-bis[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane?

The InChIKey is KZJPPLPDWFBEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36O4S6Si2/c1-49(2,3)37-31(27-11-7-23(45-27)25-9-13-29(47-25)35-33-21(19-43-35)39-15-17-41-33)38(50(4,5)6)32(37)28-12-8-24(46-28)26-10-14-30(48-26)36-34-22(20-44-36)40-16-18-42-34/h7-14,19-20H,15-18H2,1-6H3.

What are the key properties of [2,4-bis[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane?

[2,4-bis[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane has a molecular weight of 805.28 g/mol, XLogP of 13.24, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-bis[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 101401030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).