2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid

C123H84BCl2N9O2 — CID 161054244

About 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid

2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid (PubChem CID 161054244) has the molecular formula C123H84BCl2N9O2 and a molecular weight of 1801.80 g/mol. Its IUPAC name is 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid.

Molecular Properties

• Compound Name: 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid
• PubChem CID: 161054244
• Molecular Formula: C123H84BCl2N9O2
• Molecular Weight: 1801.80 g/mol
• Exact Mass: 1799.62
• IUPAC Name: 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid
• SMILES: Clc1cc(-c2ccccc2)cc(-c2nc(-c3cc(Cl)cc(-c4ccccc4)c3)nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n2)c1.OB(O)c1ccc(-c2ccccn2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccn6)cc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccn6)cc5)c4)n3)c2)cc1
• InChI: InChI=1S/C67H45N5.C45H29Cl2N3.C11H10BNO2/c1-5-17-46(18-6-1)54-37-55(47-19-7-2-8-20-47)41-60(40-54)65-70-66(61-42-56(48-21-9-3-10-22-48)38-58(44-61)50-27-31-52(32-28-50)63-25-13-15-35-68-63)72-67(71-65)62-43-57(49-23-11-4-12-24-49)39-59(45-62)51-29-33-53(34-30-51)64-26-14-16-36-69-64;46-41-26-36(32-17-9-3-10-18-32)24-39(28-41)44-48-43(49-45(50-44)40-25-37(27-42(47)29-40)33-19-11-4-12-20-33)38-22-34(30-13-5-1-6-14-30)21-35(23-38)31-15-7-2-8-16-31;14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-45H;1-29H;1-8,14-15H
• InChIKey: UCNLWZNEZMEMGY-UHFFFAOYSA-N
• XLogP: 30.27
• TPSA: 156.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1801.80
LogP ≤ 5	30.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid?

The IUPAC name of 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid (CID 161054244) is 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid.

What is the SMILES notation for 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid?

The canonical SMILES for 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid is Clc1cc(-c2ccccc2)cc(-c2nc(-c3cc(Cl)cc(-c4ccccc4)c3)nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n2)c1.OB(O)c1ccc(-c2ccccn2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccn6)cc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccn6)cc5)c4)n3)c2)cc1.

What is the InChIKey of 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid?

The InChIKey is UCNLWZNEZMEMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N5.C45H29Cl2N3.C11H10BNO2/c1-5-17-46(18-6-1)54-37-55(47-19-7-2-8-20-47)41-60(40-54)65-70-66(61-42-56(48-21-9-3-10-22-48)38-58(44-61)50-27-31-52(32-28-50)63-25-13-15-35-68-63)72-67(71-65)62-43-57(49-23-11-4-12-24-49)39-59(45-62)51-29-33-53(34-30-51)64-26-14-16-36-69-64;46-41-26-36(32-17-9-3-10-18-32)24-39(28-41)44-48-43(49-45(50-44)40-25-37(27-42(47)29-40)33-19-11-4-12-20-33)38-22-34(30-13-5-1-6-14-30)21-35(23-38)31-15-7-2-8-16-31;14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-45H;1-29H;1-8,14-15H.

What are the key properties of 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid?

2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid has a molecular weight of 1801.80 g/mol, XLogP of 30.27, 20 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(3-chloro-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid is sourced from PubChem (CID 161054244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).