2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;4-(3-chlorophenyl)-2,6-bis(3-pyridin-3-ylphenyl)pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane)

C133H102BBr2Cl2N5O2P4Pd — CID 159477157

IUPAC2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;4-(3-chlorophenyl)-2,6-bis(3-pyridin-3-ylphenyl)pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane)
SMILESClc1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)c2)c1.Clc1cccc(-c2cc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)c2)c1.OB(O)c1cccnc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H22ClN3.C23H14Br2ClN.4C18H15P.C5H6BNO2.Pd/c34-31-13-3-8-25(18-31)30-19-32(26-9-1-6-23(16-26)28-11-4-14-35-21-28)37-33(20-30)27-10-2-7-24(17-27)29-12-5-15-36-22-29;24-19-7-1-5-16(10-19)22-13-18(15-4-3-9-21(26)12-15)14-23(27-22)17-6-2-8-20(25)11-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6(9)5-2-1-3-7-4-5;/h1-22H;1-14H;4*1-15H;1-4,8-9H;
InChIKeyLWNHPYABCGKOLA-UHFFFAOYSA-N
MW2274.15 g/mol
LogP29.66
Rot. Bonds21

About 2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;4-(3-chlorophenyl)-2,6-bis(3-pyridin-3-ylphenyl)pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane)

2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;4-(3-chlorophenyl)-2,6-bis(3-pyridin-3-ylphenyl)pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane) (PubChem CID 159477157) has the molecular formula C133H102BBr2Cl2N5O2P4Pd and a molecular weight of 2274.15 g/mol. Its IUPAC name is 2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;4-(3-chlorophenyl)-2,6-bis(3-pyridin-3-ylphenyl)pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;4-(3-chlorophenyl)-2,6-bis(3-pyridin-3-ylphenyl)pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane)
PubChem CID159477157
Molecular FormulaC133H102BBr2Cl2N5O2P4Pd
Molecular Weight2274.15 g/mol
Exact Mass2269.39
IUPAC Name2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;4-(3-chlorophenyl)-2,6-bis(3-pyridin-3-ylphenyl)pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane)
SMILESClc1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)c2)c1.Clc1cccc(-c2cc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)c2)c1.OB(O)c1cccnc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H22ClN3.C23H14Br2ClN.4C18H15P.C5H6BNO2.Pd/c34-31-13-3-8-25(18-31)30-19-32(26-9-1-6-23(16-26)28-11-4-14-35-21-28)37-33(20-30)27-10-2-7-24(17-27)29-12-5-15-36-22-29;24-19-7-1-5-16(10-19)22-13-18(15-4-3-9-21(26)12-15)14-23(27-22)17-6-2-8-20(25)11-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6(9)5-2-1-3-7-4-5;/h1-22H;1-14H;4*1-15H;1-4,8-9H;
InChIKeyLWNHPYABCGKOLA-UHFFFAOYSA-N
XLogP29.66
TPSA104.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002274.15
LogP ≤ 529.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(6-Methyl-3-pyridinyl)boronic acid;2-[3-[3-[3-(6-methyl-3-pyridinyl)phenyl]-5-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine;1,3,5-tris(3-bromophenyl)benzene
CID 157242619
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
3-[3-[3-(3-Bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene
CID 157251151
(2-Boronophenyl)boronic acid;2-bromo-4-iodopyridine;2-(3-bromophenyl)-4-(2-methylprop-1-enyl)pyridine;2-chloro-4-(2-methylprop-1-enyl)pyridine;4-(2-methylprop-1-enyl)-2-[3-[2-[3-[4-(2-methylprop-1-enyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine;4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 157325910
1-Bromo-3-iodobenzene;3-(3-bromophenyl)-5,6,7,8-tetrahydroisoquinoline;3-chloro-5,6,7,8-tetrahydroisoquinoline;(2-methylphenyl)boronic acid;3-[3-(2-methylphenyl)phenyl]-5,6,7,8-tetrahydroisoquinoline
CID 157344815
2-Bromo-3-chloropyridine;3-chloro-2-(4-fluoro-3-methylphenyl)pyridine;(4-fluoro-3-methylphenyl)boronic acid;methane;palladium;tetrakis(triphenylphosphane)
CID 157422828
2-Bromo-4-tert-butylpyridine;2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane)
CID 157439136
[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 157606733
3-Bromo-2-chloropyridine;2-chloro-3-(4-fluorophenyl)pyridine;(4-fluorophenyl)boronic acid;palladium;tetrakis(triphenylphosphane)
CID 157608706
6-Bromoquinoline;6-(2-chloro-3-pyridinyl)quinoline;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;palladium;tetrakis(triphenylphosphane)
CID 157836065
(2-Boronophenyl)boronic acid;5-bromo-2-chloropyridine;2-(3-bromophenyl)-5-(2,4,6-trimethylphenyl)pyridine;2-chloro-5-(2,4,6-trimethylphenyl)pyridine;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 158166648
2-Bromo-3,4-dimethylpyridine;2-bromo-4,5-dimethylpyridine;3,4-dimethyl-2-(3-methylphenyl)pyridine;4,5-dimethyl-2-(3-methylphenyl)pyridine;(3-methylphenyl)boronic acid
CID 158271684

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;4-(3-chlorophenyl)-2,6-bis(3-pyridin-3-ylphenyl)pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane)?
The IUPAC name of 2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;4-(3-chlorophenyl)-2,6-bis(3-pyridin-3-ylphenyl)pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane) (CID 159477157) is 2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;4-(3-chlorophenyl)-2,6-bis(3-pyridin-3-ylphenyl)pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane).
What is the SMILES notation for 2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;4-(3-chlorophenyl)-2,6-bis(3-pyridin-3-ylphenyl)pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane)?
The canonical SMILES for 2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;4-(3-chlorophenyl)-2,6-bis(3-pyridin-3-ylphenyl)pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane) is Clc1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)c2)c1.Clc1cccc(-c2cc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)c2)c1.OB(O)c1cccnc1.[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 2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;4-(3-chlorophenyl)-2,6-bis(3-pyridin-3-ylphenyl)pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane)?
The InChIKey is LWNHPYABCGKOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22ClN3.C23H14Br2ClN.4C18H15P.C5H6BNO2.Pd/c34-31-13-3-8-25(18-31)30-19-32(26-9-1-6-23(16-26)28-11-4-14-35-21-28)37-33(20-30)27-10-2-7-24(17-27)29-12-5-15-36-22-29;24-19-7-1-5-16(10-19)22-13-18(15-4-3-9-21(26)12-15)14-23(27-22)17-6-2-8-20(25)11-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6(9)5-2-1-3-7-4-5;/h1-22H;1-14H;4*1-15H;1-4,8-9H;.
What are the key properties of 2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;4-(3-chlorophenyl)-2,6-bis(3-pyridin-3-ylphenyl)pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane)?
2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;4-(3-chlorophenyl)-2,6-bis(3-pyridin-3-ylphenyl)pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane) has a molecular weight of 2274.15 g/mol, XLogP of 29.66, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;4-(3-chlorophenyl)-2,6-bis(3-pyridin-3-ylphenyl)pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159477157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).