2-[4-[2-[3-[2-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine

C59H51BN2O2 — CID 142521203

About 2-[4-[2-[3-[2-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine

2-[4-[2-[3-[2-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine (PubChem CID 142521203) has the molecular formula C59H51BN2O2 and a molecular weight of 830.88 g/mol. Its IUPAC name is 2-[4-[2-[3-[2-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine.

Molecular Properties

• Compound Name: 2-[4-[2-[3-[2-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine
• PubChem CID: 142521203
• Molecular Formula: C59H51BN2O2
• Molecular Weight: 830.88 g/mol
• Exact Mass: 830.40
• IUPAC Name: 2-[4-[2-[3-[2-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine
• SMILES: Cc1cc(-c2ccc(-c3ccccc3-c3cc(B4OC(C)(C)C(C)(C)O4)cc(-c4ccccc4-c4cnc(-c5ccccc5)cc4C4=CCCC=C4)c3)cc2)ncc1-c1ccccc1
• InChI: InChI=1S/C59H51BN2O2/c1-40-33-56(61-38-54(40)42-21-11-7-12-22-42)45-31-29-43(30-32-45)49-25-15-16-26-50(49)46-34-47(36-48(35-46)60-63-58(2,3)59(4,5)64-60)51-27-17-18-28-52(51)55-39-62-57(44-23-13-8-14-24-44)37-53(55)41-19-9-6-10-20-41/h7-9,11-39H,6,10H2,1-5H3
• InChIKey: QOPFZFPIKNGGGO-UHFFFAOYSA-N
• XLogP: 14.49
• TPSA: 44.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.88
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-[2-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine?

The IUPAC name of 2-[4-[2-[3-[2-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine (CID 142521203) is 2-[4-[2-[3-[2-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine.

What is the SMILES notation for 2-[4-[2-[3-[2-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine?

The canonical SMILES for 2-[4-[2-[3-[2-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine is Cc1cc(-c2ccc(-c3ccccc3-c3cc(B4OC(C)(C)C(C)(C)O4)cc(-c4ccccc4-c4cnc(-c5ccccc5)cc4C4=CCCC=C4)c3)cc2)ncc1-c1ccccc1.

What is the InChIKey of 2-[4-[2-[3-[2-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine?

The InChIKey is QOPFZFPIKNGGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H51BN2O2/c1-40-33-56(61-38-54(40)42-21-11-7-12-22-42)45-31-29-43(30-32-45)49-25-15-16-26-50(49)46-34-47(36-48(35-46)60-63-58(2,3)59(4,5)64-60)51-27-17-18-28-52(51)55-39-62-57(44-23-13-8-14-24-44)37-53(55)41-19-9-6-10-20-41/h7-9,11-39H,6,10H2,1-5H3.

What are the key properties of 2-[4-[2-[3-[2-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine?

2-[4-[2-[3-[2-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine has a molecular weight of 830.88 g/mol, XLogP of 14.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[3-[2-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine is sourced from PubChem (CID 142521203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).