2-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)

C164H156B2BrN3O4P4Pd — CID 159104046

IUPAC2-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)
SMILESC.Cc1ccc(-c2cnccc2C)cc1Br.Cc1ccccc1-c1cc(B2OC(C)(C)C(C)(C)O2)c(-c2ccccc2C)cc1B1OC(C)(C)C(C)(C)O1.Cc1ccncc1-c1ccc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4cnccc4C)ccc3C)cc2-c2ccccc2C)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C46H40N2.C32H40B2O4.4C18H15P.C13H12BrN.CH4.Pd/c1-29-11-7-9-13-37(29)41-25-44(40-24-36(18-16-32(40)4)46-28-48-22-20-34(46)6)42(38-14-10-8-12-30(38)2)26-43(41)39-23-35(17-15-31(39)3)45-27-47-21-19-33(45)5;1-21-15-11-13-17-23(21)25-19-28(34-37-31(7,8)32(9,10)38-34)26(24-18-14-12-16-22(24)2)20-27(25)33-35-29(3,4)30(5,6)36-33;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-5-6-15-8-12(9)11-4-3-10(2)13(14)7-11;;/h7-28H,1-6H3;11-20H,1-10H3;4*1-15H;3-8H,1-2H3;1H4;
InChIKeyKDQODGFXUPTOKY-UHFFFAOYSA-N
MW2564.91 g/mol
LogP37.11
Rot. Bonds23

About 2-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)

2-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane) (PubChem CID 159104046) has the molecular formula C164H156B2BrN3O4P4Pd and a molecular weight of 2564.91 g/mol. Its IUPAC name is 2-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name2-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)
PubChem CID159104046
Molecular FormulaC164H156B2BrN3O4P4Pd
Molecular Weight2564.91 g/mol
Exact Mass2561.95
IUPAC Name2-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)
SMILESC.Cc1ccc(-c2cnccc2C)cc1Br.Cc1ccccc1-c1cc(B2OC(C)(C)C(C)(C)O2)c(-c2ccccc2C)cc1B1OC(C)(C)C(C)(C)O1.Cc1ccncc1-c1ccc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4cnccc4C)ccc3C)cc2-c2ccccc2C)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C46H40N2.C32H40B2O4.4C18H15P.C13H12BrN.CH4.Pd/c1-29-11-7-9-13-37(29)41-25-44(40-24-36(18-16-32(40)4)46-28-48-22-20-34(46)6)42(38-14-10-8-12-30(38)2)26-43(41)39-23-35(17-15-31(39)3)45-27-47-21-19-33(45)5;1-21-15-11-13-17-23(21)25-19-28(34-37-31(7,8)32(9,10)38-34)26(24-18-14-12-16-22(24)2)20-27(25)33-35-29(3,4)30(5,6)36-33;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-5-6-15-8-12(9)11-4-3-10(2)13(14)7-11;;/h7-28H,1-6H3;11-20H,1-10H3;4*1-15H;3-8H,1-2H3;1H4;
InChIKeyKDQODGFXUPTOKY-UHFFFAOYSA-N
XLogP37.11
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms179
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002564.91
LogP ≤ 537.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

2,5-Dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-(7-methyl-9,9-dioctylfluoren-2-yl)pyridine;bis(triphenylphosphane)
CID 90966057
1-[2-(4-bromo-3H-inden-1-yl)ethyl]-4-methylpiperazine;1-[2-[4-(3-fluoro-4-pyridinyl)-3H-inden-1-yl]ethyl]-4-methylpiperazine;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157068301
5-Bromo-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;methane;2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157117466
2-Bromo-5-(10-pyridin-4-ylanthracen-9-yl)pyridine;methane;5-(10-pyridin-4-ylanthracen-9-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157146169
2-Bromo-9,9,10,10-tetramethylanthracene;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157191466
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
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
Bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-lambda5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium
CID 157389470
3-[3-[3-(3-Bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157391514
9,10-Dibromoanthracene;3-(2,5-dimethylphenyl)-5-[10-[5-(2,6-dimethylphenyl)-3-pyridinyl]anthracen-9-yl]pyridine;3-(2,6-dimethylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157477310
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
2-Bromo-5-(10-phenyl-3-pyridin-4-ylanthracen-9-yl)pyridine;methane;5-(10-phenyl-3-pyridin-4-ylanthracen-9-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157707611

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of 2-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane) (CID 159104046) is 2-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for 2-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for 2-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane) is C.Cc1ccc(-c2cnccc2C)cc1Br.Cc1ccccc1-c1cc(B2OC(C)(C)C(C)(C)O2)c(-c2ccccc2C)cc1B1OC(C)(C)C(C)(C)O1.Cc1ccncc1-c1ccc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4cnccc4C)ccc3C)cc2-c2ccccc2C)c1.[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-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)?
The InChIKey is KDQODGFXUPTOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N2.C32H40B2O4.4C18H15P.C13H12BrN.CH4.Pd/c1-29-11-7-9-13-37(29)41-25-44(40-24-36(18-16-32(40)4)46-28-48-22-20-34(46)6)42(38-14-10-8-12-30(38)2)26-43(41)39-23-35(17-15-31(39)3)45-27-47-21-19-33(45)5;1-21-15-11-13-17-23(21)25-19-28(34-37-31(7,8)32(9,10)38-34)26(24-18-14-12-16-22(24)2)20-27(25)33-35-29(3,4)30(5,6)36-33;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-5-6-15-8-12(9)11-4-3-10(2)13(14)7-11;;/h7-28H,1-6H3;11-20H,1-10H3;4*1-15H;3-8H,1-2H3;1H4;.
What are the key properties of 2-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)?
2-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2564.91 g/mol, XLogP of 37.11, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(2-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(3-bromo-4-methylphenyl)-4-methylpyridine;methane;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159104046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).