5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine

C58H47BN2O2 — CID 140838337

IUPAC5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine
SMILESCC1(C)OB(c2cc(-c3ccccc3-c3cnc(-c4ccccc4)cc3-c3ccccc3)cc(-c3ccccc3-c3cnc(-c4ccccc4)cc3-c3ccccc3)c2)OC1(C)C
InChIInChI=1S/C58H47BN2O2/c1-57(2)58(3,4)63-59(62-57)46-34-44(47-29-17-19-31-49(47)53-38-60-55(42-25-13-7-14-26-42)36-51(53)40-21-9-5-10-22-40)33-45(35-46)48-30-18-20-32-50(48)54-39-61-56(43-27-15-8-16-28-43)37-52(54)41-23-11-6-12-24-41/h5-39H,1-4H3
InChIKeyQOIZUWUXGRLIDU-UHFFFAOYSA-N
MW814.84 g/mol
LogP14.11
Rot. Bonds9

About 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine

5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine (PubChem CID 140838337) has the molecular formula C58H47BN2O2 and a molecular weight of 814.84 g/mol. Its IUPAC name is 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine.

Molecular Properties

Compound Name5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine
PubChem CID140838337
Molecular FormulaC58H47BN2O2
Molecular Weight814.84 g/mol
Exact Mass814.37
IUPAC Name5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine
SMILESCC1(C)OB(c2cc(-c3ccccc3-c3cnc(-c4ccccc4)cc3-c3ccccc3)cc(-c3ccccc3-c3cnc(-c4ccccc4)cc3-c3ccccc3)c2)OC1(C)C
InChIInChI=1S/C58H47BN2O2/c1-57(2)58(3,4)63-59(62-57)46-34-44(47-29-17-19-31-49(47)53-38-60-55(42-25-13-7-14-26-42)36-51(53)40-21-9-5-10-22-40)33-45(35-46)48-30-18-20-32-50(48)54-39-61-56(43-27-15-8-16-28-43)37-52(54)41-23-11-6-12-24-41/h5-39H,1-4H3
InChIKeyQOIZUWUXGRLIDU-UHFFFAOYSA-N
XLogP14.11
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.84
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine?
The IUPAC name of 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine (CID 140838337) is 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine.
What is the SMILES notation for 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine?
The canonical SMILES for 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine is CC1(C)OB(c2cc(-c3ccccc3-c3cnc(-c4ccccc4)cc3-c3ccccc3)cc(-c3ccccc3-c3cnc(-c4ccccc4)cc3-c3ccccc3)c2)OC1(C)C.
What is the InChIKey of 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine?
The InChIKey is QOIZUWUXGRLIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47BN2O2/c1-57(2)58(3,4)63-59(62-57)46-34-44(47-29-17-19-31-49(47)53-38-60-55(42-25-13-7-14-26-42)36-51(53)40-21-9-5-10-22-40)33-45(35-46)48-30-18-20-32-50(48)54-39-61-56(43-27-15-8-16-28-43)37-52(54)41-23-11-6-12-24-41/h5-39H,1-4H3.
What are the key properties of 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine?
5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine has a molecular weight of 814.84 g/mol, XLogP of 14.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2,4-diphenylpyridine is sourced from PubChem (CID 140838337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).