2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine

C70H48N2 — CID 58943331

About 2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine

2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine (PubChem CID 58943331) has the molecular formula C70H48N2 and a molecular weight of 917.17 g/mol. Its IUPAC name is 2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine.

Molecular Properties

• Compound Name: 2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
• PubChem CID: 58943331
• Molecular Formula: C70H48N2
• Molecular Weight: 917.17 g/mol
• Exact Mass: 916.38
• IUPAC Name: 2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc4)cc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3)c2)cc1
• InChI: InChI=1S/C70H48N2/c1-7-19-49(20-8-1)59-39-60(50-21-9-2-10-22-50)42-63(41-59)64-43-61(52-31-33-54(34-32-52)66-47-68(56-27-15-5-16-28-56)71-69(48-66)57-29-17-6-18-30-57)40-62(44-64)53-35-37-58(38-36-53)70-46-65(51-23-11-3-12-24-51)45-67(72-70)55-25-13-4-14-26-55/h1-48H
• InChIKey: IUKDZCAQIRWXRU-UHFFFAOYSA-N
• XLogP: 18.81
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.17
LogP ≤ 5	18.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine?

The IUPAC name of 2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine (CID 58943331) is 2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine.

What is the SMILES notation for 2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine?

The canonical SMILES for 2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc4)cc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3)c2)cc1.

What is the InChIKey of 2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine?

The InChIKey is IUKDZCAQIRWXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2/c1-7-19-49(20-8-1)59-39-60(50-21-9-2-10-22-50)42-63(41-59)64-43-61(52-31-33-54(34-32-52)66-47-68(56-27-15-5-16-28-56)71-69(48-66)57-29-17-6-18-30-57)40-62(44-64)53-35-37-58(38-36-53)70-46-65(51-23-11-3-12-24-51)45-67(72-70)55-25-13-4-14-26-55/h1-48H.

What are the key properties of 2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine?

2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine has a molecular weight of 917.17 g/mol, XLogP of 18.81, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine is sourced from PubChem (CID 58943331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).