2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine

C67H45N5O — CID 156674137

About 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine

2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine (PubChem CID 156674137) has the molecular formula C67H45N5O and a molecular weight of 936.13 g/mol. Its IUPAC name is 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine
• PubChem CID: 156674137
• Molecular Formula: C67H45N5O
• Molecular Weight: 936.13 g/mol
• Exact Mass: 935.36
• IUPAC Name: 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine
• SMILES: c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4Oc4cccc(-c5ccccn5)n4)c3)cc2)nc1
• InChI: InChI=1S/C67H45N5O/c1-3-18-56(54(16-1)46-28-32-48(33-29-46)61-22-7-11-38-68-61)51-42-52(57-19-4-2-17-55(57)47-30-34-49(35-31-47)62-23-8-12-39-69-62)44-53(43-51)58-20-5-6-21-59(58)60-37-36-50(63-24-9-13-40-70-63)45-66(60)73-67-27-15-26-65(72-67)64-25-10-14-41-71-64/h1-45H
• InChIKey: DPZXFLWSCCYJIM-UHFFFAOYSA-N
• XLogP: 17.12
• TPSA: 73.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.13
LogP ≤ 5	17.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine?

The IUPAC name of 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine (CID 156674137) is 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine.

What is the SMILES notation for 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine?

The canonical SMILES for 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine is c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4Oc4cccc(-c5ccccn5)n4)c3)cc2)nc1.

What is the InChIKey of 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine?

The InChIKey is DPZXFLWSCCYJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N5O/c1-3-18-56(54(16-1)46-28-32-48(33-29-46)61-22-7-11-38-68-61)51-42-52(57-19-4-2-17-55(57)47-30-34-49(35-31-47)62-23-8-12-39-69-62)44-53(43-51)58-20-5-6-21-59(58)60-37-36-50(63-24-9-13-40-70-63)45-66(60)73-67-27-15-26-65(72-67)64-25-10-14-41-71-64/h1-45H.

What are the key properties of 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine?

2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine has a molecular weight of 936.13 g/mol, XLogP of 17.12, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 156674137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).