5-[2-[3,5-bis[2-(5-methyl-6-pyridin-2-yl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(1-fluorodibenzofuran-4-yl)-4-phenylpyridine

C₆₁H₄₅F₂N₅O — CID 165148521

About 5-[2-[3,5-bis[2-(5-methyl-6-pyridin-2-yl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(1-fluorodibenzofuran-4-yl)-4-phenylpyridine

5-[2-[3,5-bis[2-(5-methyl-6-pyridin-2-yl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(1-fluorodibenzofuran-4-yl)-4-phenylpyridine (PubChem CID 165148521) has the molecular formula C₆₁H₄₅F₂N₅O and a molecular weight of 902.06 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(5-methyl-6-pyridin-2-yl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(1-fluorodibenzofuran-4-yl)-4-phenylpyridine.

Molecular Properties

• Compound Name: 5-[2-[3,5-bis[2-(5-methyl-6-pyridin-2-yl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(1-fluorodibenzofuran-4-yl)-4-phenylpyridine
• PubChem CID: 165148521
• Molecular Formula: C₆₁H₄₅F₂N₅O
• Molecular Weight: 902.06 g/mol
• Exact Mass: 901.36
• IUPAC Name: 5-[2-[3,5-bis[2-(5-methyl-6-pyridin-2-yl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(1-fluorodibenzofuran-4-yl)-4-phenylpyridine
• SMILES: Cc1cc(CCc2cc(CCc3cnc(-c4ccccn4)c(C)c3)cc(-c3cc(F)ccc3-c3cnc(-c4ccc(F)c5c4oc4ccccc45)cc3-c3ccccc3)c2)cnc1-c1ccccn1
• InChI: InChI=1S/C61H45F2N5O/c1-38-28-42(35-67-59(38)54-15-8-10-26-64-54)20-18-40-30-41(19-21-43-29-39(2)60(68-36-43)55-16-9-11-27-65-55)32-45(31-40)50-33-46(62)22-23-47(50)52-37-66-56(34-51(52)44-12-4-3-5-13-44)48-24-25-53(63)58-49-14-6-7-17-57(49)69-61(48)58/h3-17,22-37H,18-21H2,1-2H3
• InChIKey: CKVOOABPRDMADL-UHFFFAOYSA-N
• XLogP: 15.03
• TPSA: 77.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	902.06
LogP ≤ 5	15.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(5-methyl-6-pyridin-2-yl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(1-fluorodibenzofuran-4-yl)-4-phenylpyridine?

The IUPAC name of 5-[2-[3,5-bis[2-(5-methyl-6-pyridin-2-yl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(1-fluorodibenzofuran-4-yl)-4-phenylpyridine (CID 165148521) is 5-[2-[3,5-bis[2-(5-methyl-6-pyridin-2-yl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(1-fluorodibenzofuran-4-yl)-4-phenylpyridine.

What is the SMILES notation for 5-[2-[3,5-bis[2-(5-methyl-6-pyridin-2-yl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(1-fluorodibenzofuran-4-yl)-4-phenylpyridine?

The canonical SMILES for 5-[2-[3,5-bis[2-(5-methyl-6-pyridin-2-yl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(1-fluorodibenzofuran-4-yl)-4-phenylpyridine is Cc1cc(CCc2cc(CCc3cnc(-c4ccccn4)c(C)c3)cc(-c3cc(F)ccc3-c3cnc(-c4ccc(F)c5c4oc4ccccc45)cc3-c3ccccc3)c2)cnc1-c1ccccn1.

What is the InChIKey of 5-[2-[3,5-bis[2-(5-methyl-6-pyridin-2-yl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(1-fluorodibenzofuran-4-yl)-4-phenylpyridine?

The InChIKey is CKVOOABPRDMADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45F2N5O/c1-38-28-42(35-67-59(38)54-15-8-10-26-64-54)20-18-40-30-41(19-21-43-29-39(2)60(68-36-43)55-16-9-11-27-65-55)32-45(31-40)50-33-46(62)22-23-47(50)52-37-66-56(34-51(52)44-12-4-3-5-13-44)48-24-25-53(63)58-49-14-6-7-17-57(49)69-61(48)58/h3-17,22-37H,18-21H2,1-2H3.

What are the key properties of 5-[2-[3,5-bis[2-(5-methyl-6-pyridin-2-yl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(1-fluorodibenzofuran-4-yl)-4-phenylpyridine?

5-[2-[3,5-bis[2-(5-methyl-6-pyridin-2-yl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(1-fluorodibenzofuran-4-yl)-4-phenylpyridine has a molecular weight of 902.06 g/mol, XLogP of 15.03, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3,5-bis[2-(5-methyl-6-pyridin-2-yl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(1-fluorodibenzofuran-4-yl)-4-phenylpyridine is sourced from PubChem (CID 165148521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 165148521 — identifiers, structure, computed properties (public domain)

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