dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

C205H160BClK2N6O5P4Pd — CID 159995747

About dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (PubChem CID 159995747) has the molecular formula C205H160BClK2N6O5P4Pd and a molecular weight of 3142.35 g/mol. Its IUPAC name is dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
• PubChem CID: 159995747
• Molecular Formula: C205H160BClK2N6O5P4Pd
• Molecular Weight: 3142.35 g/mol
• Exact Mass: 3138.95
• IUPAC Name: dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
• SMILES: CC1(C)OB(c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)cc2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2)n1.O=CO[O-].[H-].[K+].[K+].[Pd].c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)cc4)n3)c2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C63H43N3.C48H41BO2.C21H14ClN3.4C18H15P.CH2O3.2K.Pd.H/c1-8-23-44(24-9-1)53-37-22-38-54(43-53)63-65-61(51-35-20-7-21-36-51)64-62(66-63)52-41-39-50(40-42-52)60-58(48-31-16-5-17-32-48)56(46-27-12-3-13-28-46)55(45-25-10-2-11-26-45)57(47-29-14-4-15-30-47)59(60)49-33-18-6-19-34-49;1-47(2)48(3,4)51-49(50-47)40-32-30-39(31-33-40)46-44(37-26-16-8-17-27-37)42(35-22-12-6-13-23-35)41(34-20-10-5-11-21-34)43(36-24-14-7-15-25-36)45(46)38-28-18-9-19-29-38;22-21-24-19(16-10-5-2-6-11-16)23-20(25-21)18-13-7-12-17(14-18)15-8-3-1-4-9-15;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-4-3;;;;/h1-43H;5-33H,1-4H3;1-14H;4*1-15H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1
• InChIKey: FJKLOTULKCJVEM-UHFFFAOYSA-M
• XLogP: 40.39
• TPSA: 145.16 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 33
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3142.35
LogP ≤ 5	40.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?

The IUPAC name of dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (CID 159995747) is dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).

What is the SMILES notation for dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?

The canonical SMILES for dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is CC1(C)OB(c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)cc2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2)n1.O=CO[O-].[H-].[K+].[K+].[Pd].c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)cc4)n3)c2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?

The InChIKey is FJKLOTULKCJVEM-UHFFFAOYSA-M. The full InChI is InChI=1S/C63H43N3.C48H41BO2.C21H14ClN3.4C18H15P.CH2O3.2K.Pd.H/c1-8-23-44(24-9-1)53-37-22-38-54(43-53)63-65-61(51-35-20-7-21-36-51)64-62(66-63)52-41-39-50(40-42-52)60-58(48-31-16-5-17-32-48)56(46-27-12-3-13-28-46)55(45-25-10-2-11-26-45)57(47-29-14-4-15-30-47)59(60)49-33-18-6-19-34-49;1-47(2)48(3,4)51-49(50-47)40-32-30-39(31-33-40)46-44(37-26-16-8-17-27-37)42(35-22-12-6-13-23-35)41(34-20-10-5-11-21-34)43(36-24-14-7-15-25-36)45(46)38-28-18-9-19-29-38;22-21-24-19(16-10-5-2-6-11-16)23-20(25-21)18-13-7-12-17(14-18)15-8-3-1-4-9-15;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-4-3;;;;/h1-43H;5-33H,1-4H3;1-14H;4*1-15H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1.

What are the key properties of dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?

dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) has a molecular weight of 3142.35 g/mol, XLogP of 40.39, 33 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159995747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).