tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane

C71H98S8Sn — CID 11600630

About tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane

tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane (PubChem CID 11600630) has the molecular formula C71H98S8Sn and a molecular weight of 1326.81 g/mol. Its IUPAC name is tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane.

Molecular Properties

• Compound Name: tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane
• PubChem CID: 11600630
• Molecular Formula: C71H98S8Sn
• Molecular Weight: 1326.81 g/mol
• Exact Mass: 1326.45
• IUPAC Name: tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane
• SMILES: CCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(CCCc4cc(CCCCCC)c(-c5ccc(-c6ccc(-c7sc([Sn](CCCC)(CCCC)CCCC)cc7CCCCCC)s6)s5)s4)cc3CCCCCC)s2)s1
• InChI: InChI=1S/C59H71S8.3C4H9.Sn/c1-5-9-13-17-22-42-36-38-60-56(42)52-32-28-48(64-52)50-30-34-54(66-50)58-44(24-19-15-11-7-3)40-46(62-58)26-21-27-47-41-45(25-20-16-12-8-4)59(63-47)55-35-31-51(67-55)49-29-33-53(65-49)57-43(37-39-61-57)23-18-14-10-6-2;3*1-3-4-2;/h28-38,40-41H,5-27H2,1-4H3;3*1,3-4H2,2H3
• InChIKey: CCSMZZCSJFORLL-UHFFFAOYSA-N
• XLogP: 26.90
• TPSA: 0.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 40
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1326.81
LogP ≤ 5	26.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane?

The IUPAC name of tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane (CID 11600630) is tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane.

What is the SMILES notation for tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane?

The canonical SMILES for tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane is CCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(CCCc4cc(CCCCCC)c(-c5ccc(-c6ccc(-c7sc([Sn](CCCC)(CCCC)CCCC)cc7CCCCCC)s6)s5)s4)cc3CCCCCC)s2)s1.

What is the InChIKey of tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane?

The InChIKey is CCSMZZCSJFORLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H71S8.3C4H9.Sn/c1-5-9-13-17-22-42-36-38-60-56(42)52-32-28-48(64-52)50-30-34-54(66-50)58-44(24-19-15-11-7-3)40-46(62-58)26-21-27-47-41-45(25-20-16-12-8-4)59(63-47)55-35-31-51(67-55)49-29-33-53(65-49)57-43(37-39-61-57)23-18-14-10-6-2;3*1-3-4-2;/h28-38,40-41H,5-27H2,1-4H3;3*1,3-4H2,2H3;.

What are the key properties of tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane?

tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane has a molecular weight of 1326.81 g/mol, XLogP of 26.90, 40 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane is sourced from PubChem (CID 11600630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).