4-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-yl-4-pyridinyl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-2,6-dipyridin-2-ylpyridine

C88H92N6S4 — CID 11029686

About 4-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-yl-4-pyridinyl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-2,6-dipyridin-2-ylpyridine

4-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-yl-4-pyridinyl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 11029686) has the molecular formula C88H92N6S4 and a molecular weight of 1362.01 g/mol. Its IUPAC name is 4-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-yl-4-pyridinyl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 4-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-yl-4-pyridinyl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-2,6-dipyridin-2-ylpyridine
• PubChem CID: 11029686
• Molecular Formula: C88H92N6S4
• Molecular Weight: 1362.01 g/mol
• Exact Mass: 1360.63
• IUPAC Name: 4-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-yl-4-pyridinyl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-2,6-dipyridin-2-ylpyridine
• SMILES: CCCCc1c(C#Cc2cc(-c3ccccn3)nc(-c3ccccn3)c2)sc(C#Cc2sc(C#Cc3sc(C#Cc4sc(C#Cc5cc(-c6ccccn6)nc(-c6ccccn6)c5)c(CCCC)c4CCCC)c(CCCC)c3CCCC)c(CCCC)c2CCCC)c1CCCC
• InChI: InChI=1S/C88H92N6S4/c1-9-17-33-65-67(35-19-11-3)83(95-81(65)47-45-63-59-77(73-41-25-29-55-89-73)93-78(60-63)74-42-26-30-56-90-74)49-51-85-69(37-21-13-5)71(39-23-15-7)87(97-85)53-54-88-72(40-24-16-8)70(38-22-14-6)86(98-88)52-50-84-68(36-20-12-4)66(34-18-10-2)82(96-84)48-46-64-61-79(75-43-27-31-57-91-75)94-80(62-64)76-44-28-32-58-92-76/h25-32,41-44,55-62H,9-24,33-40H2,1-8H3
• InChIKey: OJWFWCXYOZLKDA-UHFFFAOYSA-N
• XLogP: 22.71
• TPSA: 77.34 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 28
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1362.01
LogP ≤ 5	22.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-yl-4-pyridinyl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-2,6-dipyridin-2-ylpyridine?

The IUPAC name of 4-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-yl-4-pyridinyl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-2,6-dipyridin-2-ylpyridine (CID 11029686) is 4-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-yl-4-pyridinyl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-2,6-dipyridin-2-ylpyridine.

What is the SMILES notation for 4-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-yl-4-pyridinyl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-2,6-dipyridin-2-ylpyridine?

The canonical SMILES for 4-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-yl-4-pyridinyl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-2,6-dipyridin-2-ylpyridine is CCCCc1c(C#Cc2cc(-c3ccccn3)nc(-c3ccccn3)c2)sc(C#Cc2sc(C#Cc3sc(C#Cc4sc(C#Cc5cc(-c6ccccn6)nc(-c6ccccn6)c5)c(CCCC)c4CCCC)c(CCCC)c3CCCC)c(CCCC)c2CCCC)c1CCCC.

What is the InChIKey of 4-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-yl-4-pyridinyl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-2,6-dipyridin-2-ylpyridine?

The InChIKey is OJWFWCXYOZLKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H92N6S4/c1-9-17-33-65-67(35-19-11-3)83(95-81(65)47-45-63-59-77(73-41-25-29-55-89-73)93-78(60-63)74-42-26-30-56-90-74)49-51-85-69(37-21-13-5)71(39-23-15-7)87(97-85)53-54-88-72(40-24-16-8)70(38-22-14-6)86(98-88)52-50-84-68(36-20-12-4)66(34-18-10-2)82(96-84)48-46-64-61-79(75-43-27-31-57-91-75)94-80(62-64)76-44-28-32-58-92-76/h25-32,41-44,55-62H,9-24,33-40H2,1-8H3.

What are the key properties of 4-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-yl-4-pyridinyl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-2,6-dipyridin-2-ylpyridine?

4-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-yl-4-pyridinyl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 1362.01 g/mol, XLogP of 22.71, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-yl-4-pyridinyl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 11029686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).