4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine

C78H56N10O4 — CID 100993285

About 4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine

4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine (PubChem CID 100993285) has the molecular formula C78H56N10O4 and a molecular weight of 1197.37 g/mol. Its IUPAC name is 4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine
• PubChem CID: 100993285
• Molecular Formula: C78H56N10O4
• Molecular Weight: 1197.37 g/mol
• Exact Mass: 1196.45
• IUPAC Name: 4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine
• SMILES: c1ccc(-c2cc(OCc3ccc(COc4ccc(-c5cc(-c6ccccn6)nc(-c6cc(-c7ccc(OCc8ccc(COc9cc(-c%10ccccn%10)nc(-c%10ccccn%10)c9)cc8)cc7)cc(-c7ccccn7)n6)c5)cc4)cc3)cc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/C78H56N10O4/c1-7-35-79-65(13-1)71-41-59(57-27-31-61(32-28-57)89-49-53-19-23-55(24-20-53)51-91-63-45-75(67-15-3-9-37-81-67)87-76(46-63)68-16-4-10-38-82-68)43-73(85-71)74-44-60(42-72(86-74)66-14-2-8-36-80-66)58-29-33-62(34-30-58)90-50-54-21-25-56(26-22-54)52-92-64-47-77(69-17-5-11-39-83-69)88-78(48-64)70-18-6-12-40-84-70/h1-48H,49-52H2
• InChIKey: ZUIBCFUXYBYSIE-UHFFFAOYSA-N
• XLogP: 16.96
• TPSA: 165.82 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1197.37
LogP ≤ 5	16.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine?

The IUPAC name of 4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine (CID 100993285) is 4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine.

What is the SMILES notation for 4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine?

The canonical SMILES for 4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine is c1ccc(-c2cc(OCc3ccc(COc4ccc(-c5cc(-c6ccccn6)nc(-c6cc(-c7ccc(OCc8ccc(COc9cc(-c%10ccccn%10)nc(-c%10ccccn%10)c9)cc8)cc7)cc(-c7ccccn7)n6)c5)cc4)cc3)cc(-c3ccccn3)n2)nc1.

What is the InChIKey of 4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine?

The InChIKey is ZUIBCFUXYBYSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56N10O4/c1-7-35-79-65(13-1)71-41-59(57-27-31-61(32-28-57)89-49-53-19-23-55(24-20-53)51-91-63-45-75(67-15-3-9-37-81-67)87-76(46-63)68-16-4-10-38-82-68)43-73(85-71)74-44-60(42-72(86-74)66-14-2-8-36-80-66)58-29-33-62(34-30-58)90-50-54-21-25-56(26-22-54)52-92-64-47-77(69-17-5-11-39-83-69)88-78(48-64)70-18-6-12-40-84-70/h1-48H,49-52H2.

What are the key properties of 4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine?

4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine has a molecular weight of 1197.37 g/mol, XLogP of 16.96, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 100993285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).