5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine

C64H45N3 — CID 176725781

About 5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine

5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine (PubChem CID 176725781) has the molecular formula C64H45N3 and a molecular weight of 859.10 g/mol. Its IUPAC name is 5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine.

Molecular Properties

• Compound Name: 5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
• PubChem CID: 176725781
• Molecular Formula: C64H45N3
• Molecular Weight: 859.10 g/mol
• Exact Mass: 858.38
• IUPAC Name: 5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
• SMILES: [2H]C([2H])([2H])c1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cccnc5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)cc2)ncc1-c1ccccc1
• InChI: InChI=1S/C64H45N3/c1-44-38-64(67-43-62(44)46-14-3-2-4-15-46)51-34-30-49(31-35-51)58-19-7-10-22-61(58)55-40-53(59-20-8-5-17-56(59)47-26-24-45(25-27-47)52-16-13-36-65-42-52)39-54(41-55)60-21-9-6-18-57(60)48-28-32-50(33-29-48)63-23-11-12-37-66-63/h2-43H,1H3/i1D3
• InChIKey: KLBXAPOWIYZGRT-FIBGUPNXSA-N
• XLogP: 16.85
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.10
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine?

The IUPAC name of 5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine (CID 176725781) is 5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine.

What is the SMILES notation for 5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine?

The canonical SMILES for 5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cccnc5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)cc2)ncc1-c1ccccc1.

What is the InChIKey of 5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine?

The InChIKey is KLBXAPOWIYZGRT-FIBGUPNXSA-N. The full InChI is InChI=1S/C64H45N3/c1-44-38-64(67-43-62(44)46-14-3-2-4-15-46)51-34-30-49(31-35-51)58-19-7-10-22-61(58)55-40-53(59-20-8-5-17-56(59)47-26-24-45(25-27-47)52-16-13-36-65-42-52)39-54(41-55)60-21-9-6-18-57(60)48-28-32-50(33-29-48)63-23-11-12-37-66-63/h2-43H,1H3/i1D3.

What are the key properties of 5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine?

5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine has a molecular weight of 859.10 g/mol, XLogP of 16.85, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine is sourced from PubChem (CID 176725781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).