potassium;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;hydride;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine

C74H59BBrKN4O2 — CID 158926644

About potassium;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;hydride;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine

potassium;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;hydride;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine (PubChem CID 158926644) has the molecular formula C74H59BBrKN4O2 and a molecular weight of 1166.13 g/mol. Its IUPAC name is potassium;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;hydride;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: potassium;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;hydride;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine
• PubChem CID: 158926644
• Molecular Formula: C74H59BBrKN4O2
• Molecular Weight: 1166.13 g/mol
• Exact Mass: 1164.36
• IUPAC Name: potassium;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;hydride;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine
• SMILES: Brc1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.CC1(C)OB(c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)OC1(C)C.[H-].[K+]
• InChI: InChI=1S/C40H35BN2O2.C34H23BrN2.K.H/c1-39(2)40(3,4)45-41(44-39)38-17-7-14-32(25-38)37-23-35(30-12-5-10-28(20-30)33-15-8-18-42-26-33)22-36(24-37)31-13-6-11-29(21-31)34-16-9-19-43-27-34;35-34-13-3-10-28(21-34)33-19-31(26-8-1-6-24(16-26)29-11-4-14-36-22-29)18-32(20-33)27-9-2-7-25(17-27)30-12-5-15-37-23-30;;/h5-27H,1-4H3;1-23H;;/q;;+1;-1
• InChIKey: MPMZUKCPYKMAKR-UHFFFAOYSA-N
• XLogP: 15.80
• TPSA: 70.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1166.13
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;hydride;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine?

The IUPAC name of potassium;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;hydride;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine (CID 158926644) is potassium;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;hydride;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine.

What is the SMILES notation for potassium;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;hydride;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine?

The canonical SMILES for potassium;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;hydride;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine is Brc1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.CC1(C)OB(c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)OC1(C)C.[H-].[K+].

What is the InChIKey of potassium;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;hydride;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine?

The InChIKey is MPMZUKCPYKMAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35BN2O2.C34H23BrN2.K.H/c1-39(2)40(3,4)45-41(44-39)38-17-7-14-32(25-38)37-23-35(30-12-5-10-28(20-30)33-15-8-18-42-26-33)22-36(24-37)31-13-6-11-29(21-31)34-16-9-19-43-27-34;35-34-13-3-10-28(21-34)33-19-31(26-8-1-6-24(16-26)29-11-4-14-36-22-29)18-32(20-33)27-9-2-7-25(17-27)30-12-5-15-37-23-30;;/h5-27H,1-4H3;1-23H;;/q;;+1;-1.

What are the key properties of potassium;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;hydride;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine?

potassium;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;hydride;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine has a molecular weight of 1166.13 g/mol, XLogP of 15.80, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;hydride;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 158926644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).