3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane)

C164H172BBr3N12O2P4Pd+6 — CID 157442864

IUPAC3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane)
SMILESBrc1cccnc1-c1ccncc1.Brc1cccnc1Br.CC1(C)OB(c2ccncc2)OC1(C)C.CCCCCC[n+]1ccc(-c2c(-c3ccc[n+](C)c3-c3cc[n+](CCCCCC)cc3)ccc[n+]2C)cc1.CCCCCC[n+]1ccc(-c2ncccc2-c2cccnc2-c2cc[n+](CCCCCC)cc2)cc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H46N4.C32H40N4.4C18H15P.C11H16BNO2.C10H7BrN2.C5H3Br2N.Pd/c1-5-7-9-11-23-37-25-17-29(18-26-37)33-31(15-13-21-35(33)3)32-16-14-22-36(4)34(32)30-19-27-38(28-20-30)24-12-10-8-6-2;1-3-5-7-9-21-35-23-15-27(16-24-35)31-29(13-11-19-33-31)30-14-12-20-34-32(30)28-17-25-36(26-18-28)22-10-8-6-4-2;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;11-9-2-1-5-13-10(9)8-3-6-12-7-4-8;6-4-2-1-3-8-5(4)7;/h13-22,25-28H,5-12,23-24H2,1-4H3;11-20,23-26H,3-10,21-22H2,1-2H3;4*1-15H;5-8H,1-4H3;1-7H;1-3H;/q+4;+2;;;;;;;;
InChIKeyIXALJZQMJLSFIO-UHFFFAOYSA-N
MW2824.10 g/mol
LogP33.96
Rot. Bonds40

About 3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane)

3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane) (PubChem CID 157442864) has the molecular formula C164H172BBr3N12O2P4Pd+6 and a molecular weight of 2824.10 g/mol. Its IUPAC name is 3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane)
PubChem CID157442864
Molecular FormulaC164H172BBr3N12O2P4Pd+6
Molecular Weight2824.10 g/mol
Exact Mass2818.93
IUPAC Name3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane)
SMILESBrc1cccnc1-c1ccncc1.Brc1cccnc1Br.CC1(C)OB(c2ccncc2)OC1(C)C.CCCCCC[n+]1ccc(-c2c(-c3ccc[n+](C)c3-c3cc[n+](CCCCCC)cc3)ccc[n+]2C)cc1.CCCCCC[n+]1ccc(-c2ncccc2-c2cccnc2-c2cc[n+](CCCCCC)cc2)cc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H46N4.C32H40N4.4C18H15P.C11H16BNO2.C10H7BrN2.C5H3Br2N.Pd/c1-5-7-9-11-23-37-25-17-29(18-26-37)33-31(15-13-21-35(33)3)32-16-14-22-36(4)34(32)30-19-27-38(28-20-30)24-12-10-8-6-2;1-3-5-7-9-21-35-23-15-27(16-24-35)31-29(13-11-19-33-31)30-14-12-20-34-32(30)28-17-25-36(26-18-28)22-10-8-6-4-2;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;11-9-2-1-5-13-10(9)8-3-6-12-7-4-8;6-4-2-1-3-8-5(4)7;/h13-22,25-28H,5-12,23-24H2,1-4H3;11-20,23-26H,3-10,21-22H2,1-2H3;4*1-15H;5-8H,1-4H3;1-7H;1-3H;/q+4;+2;;;;;;;;
InChIKeyIXALJZQMJLSFIO-UHFFFAOYSA-N
XLogP33.96
TPSA119.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds40
Heavy Atoms187
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002824.10
LogP ≤ 533.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

3-[3-[3-[3-[5-[3-[3,5-Bis[3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-5-[3-(5-methyl-3-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine;3,5-dibromopyridine;3-[3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine
CID 160226544
2-Phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-pyridinyl]-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 141693450
3,5-Bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid;3,5-dibromopyridine
CID 157128470
(6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 157189322
2-Bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157201075
N-[(1E)-2-[4-[4-chloro-6-(4-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]buta-1,3-dienyl]methanimine;2,6-dibromo-4-chloropyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 157300253
10-(3-Bromophenyl)-5-phenyl-2-pyridin-2-ylbenzo[b][1,4]benzazaborinine;5-phenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazaborinine;pyridin-2-ylboronic acid
CID 157456934
Potassium;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-[3-[3-(3-pyridin-2-ylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3,5-dibromopyridine;hydride;molecular iodine;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 157565624
Azane;1-bromo-3-iodobenzene;3-[3-(3-bromophenyl)-5-pyridin-3-ylphenyl]pyridine;methane;3-[3-pyridin-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 157584619
5-Bromo-2-phenylpyridine;5-[4-(4-tert-butylphenyl)phenyl]-2-phenylpyridine;2-[4-(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157637020
3,5-Dibromopyridine;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-[3-(3-phenyl-5-pyridin-3-ylphenyl)phenyl]pyridine;3-[3-pyridin-3-yl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine;triiodide;hydrate
CID 157667683
5-Bromo-4-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)pyridine;2,5-dibromo-3-methylpyridine;methane;4,4,5,5-tetramethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3,2-dioxaborolane
CID 157730807

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane)?
The IUPAC name of 3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane) (CID 157442864) is 3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane).
What is the SMILES notation for 3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane)?
The canonical SMILES for 3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane) is Brc1cccnc1-c1ccncc1.Brc1cccnc1Br.CC1(C)OB(c2ccncc2)OC1(C)C.CCCCCC[n+]1ccc(-c2c(-c3ccc[n+](C)c3-c3cc[n+](CCCCCC)cc3)ccc[n+]2C)cc1.CCCCCC[n+]1ccc(-c2ncccc2-c2cccnc2-c2cc[n+](CCCCCC)cc2)cc1.[Pd].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 3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane)?
The InChIKey is IXALJZQMJLSFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N4.C32H40N4.4C18H15P.C11H16BNO2.C10H7BrN2.C5H3Br2N.Pd/c1-5-7-9-11-23-37-25-17-29(18-26-37)33-31(15-13-21-35(33)3)32-16-14-22-36(4)34(32)30-19-27-38(28-20-30)24-12-10-8-6-2;1-3-5-7-9-21-35-23-15-27(16-24-35)31-29(13-11-19-33-31)30-14-12-20-34-32(30)28-17-25-36(26-18-28)22-10-8-6-4-2;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;11-9-2-1-5-13-10(9)8-3-6-12-7-4-8;6-4-2-1-3-8-5(4)7;/h13-22,25-28H,5-12,23-24H2,1-4H3;11-20,23-26H,3-10,21-22H2,1-2H3;4*1-15H;5-8H,1-4H3;1-7H;1-3H;/q+4;+2;;;;;;;;.
What are the key properties of 3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane)?
3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane) has a molecular weight of 2824.10 g/mol, XLogP of 33.96, 40 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157442864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).