4-[4-[2-[4-[2-[4-[2-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]-2,5-bis(2-ethylhexoxy)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine

C84H72N6O2 — CID 46203177

About 4-[4-[2-[4-[2-[4-[2-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]-2,5-bis(2-ethylhexoxy)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine

4-[4-[2-[4-[2-[4-[2-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]-2,5-bis(2-ethylhexoxy)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 46203177) has the molecular formula C84H72N6O2 and a molecular weight of 1197.54 g/mol. Its IUPAC name is 4-[4-[2-[4-[2-[4-[2-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]-2,5-bis(2-ethylhexoxy)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 4-[4-[2-[4-[2-[4-[2-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]-2,5-bis(2-ethylhexoxy)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine
• PubChem CID: 46203177
• Molecular Formula: C84H72N6O2
• Molecular Weight: 1197.54 g/mol
• Exact Mass: 1196.57
• IUPAC Name: 4-[4-[2-[4-[2-[4-[2-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]-2,5-bis(2-ethylhexoxy)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine
• SMILES: CCCCC(CC)COc1cc(C#Cc2ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc2)c(OCC(CC)CCCC)cc1C#Cc1ccc(C#Cc2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1
• InChI: InChI=1S/C84H72N6O2/c1-5-9-19-61(7-3)59-91-83-57-72(48-42-66-33-27-64(28-34-66)30-36-68-39-45-70(46-40-68)74-55-81(77-23-13-17-51-87-77)90-82(56-74)78-24-14-18-52-88-78)84(92-60-62(8-4)20-10-6-2)58-71(83)47-41-65-31-25-63(26-32-65)29-35-67-37-43-69(44-38-67)73-53-79(75-21-11-15-49-85-75)89-80(54-73)76-22-12-16-50-86-76/h11-18,21-28,31-34,37-40,43-46,49-58,61-62H,5-10,19-20,59-60H2,1-4H3
• InChIKey: GDACWEZHKFOYJA-UHFFFAOYSA-N
• XLogP: 18.85
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1197.54
LogP ≤ 5	18.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-[2-[4-[2-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]-2,5-bis(2-ethylhexoxy)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine?

The IUPAC name of 4-[4-[2-[4-[2-[4-[2-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]-2,5-bis(2-ethylhexoxy)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine (CID 46203177) is 4-[4-[2-[4-[2-[4-[2-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]-2,5-bis(2-ethylhexoxy)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine.

What is the SMILES notation for 4-[4-[2-[4-[2-[4-[2-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]-2,5-bis(2-ethylhexoxy)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine?

The canonical SMILES for 4-[4-[2-[4-[2-[4-[2-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]-2,5-bis(2-ethylhexoxy)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine is CCCCC(CC)COc1cc(C#Cc2ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc2)c(OCC(CC)CCCC)cc1C#Cc1ccc(C#Cc2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1.

What is the InChIKey of 4-[4-[2-[4-[2-[4-[2-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]-2,5-bis(2-ethylhexoxy)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine?

The InChIKey is GDACWEZHKFOYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H72N6O2/c1-5-9-19-61(7-3)59-91-83-57-72(48-42-66-33-27-64(28-34-66)30-36-68-39-45-70(46-40-68)74-55-81(77-23-13-17-51-87-77)90-82(56-74)78-24-14-18-52-88-78)84(92-60-62(8-4)20-10-6-2)58-71(83)47-41-65-31-25-63(26-32-65)29-35-67-37-43-69(44-38-67)73-53-79(75-21-11-15-49-85-75)89-80(54-73)76-22-12-16-50-86-76/h11-18,21-28,31-34,37-40,43-46,49-58,61-62H,5-10,19-20,59-60H2,1-4H3.

What are the key properties of 4-[4-[2-[4-[2-[4-[2-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]-2,5-bis(2-ethylhexoxy)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine?

4-[4-[2-[4-[2-[4-[2-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]-2,5-bis(2-ethylhexoxy)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 1197.54 g/mol, XLogP of 18.85, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-[4-[2-[4-[2-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]-2,5-bis(2-ethylhexoxy)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 46203177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).