(4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane)

C184H174BBr5Cl2F9N11O2P6Pd2Sn — CID 161097469

IUPAC(4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane)
SMILESBrc1ccnc(Br)c1.CC(C)c1cccc(C(C)C)c1-c1ccnc(-c2cnc(C(F)(F)F)nc2)c1.CC(C)c1cccc(C(C)C)c1B(O)O.CCCC[Sn](CCCC)(CCCC)c1cc(Br)ccn1.Cl[Pd]Cl.FC(F)(F)c1ncc(-c2cc(Br)ccn2)cn1.FC(F)(F)c1ncc(-c2cc(Br)ccn2)cn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22F3N3.6C18H15P.C12H19BO2.2C10H5BrF3N3.C5H3Br2N.C5H3BrN.3C4H9.2ClH.2Pd.Sn/c1-13(2)17-6-5-7-18(14(3)4)20(17)15-8-9-26-19(10-15)16-11-27-21(28-12-16)22(23,24)25;6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)10-6-5-7-11(9(3)4)12(10)13(14)15;2*11-7-1-2-15-8(3-7)6-4-16-9(17-5-6)10(12,13)14;6-4-1-2-8-5(7)3-4;6-5-1-3-7-4-2-5;3*1-3-4-2;;;;;/h5-14H,1-4H3;6*1-15H;5-9,14-15H,1-4H3;2*1-5H;1-3H;1-3H;3*1,3-4H2,2H3;2*1H;;;/q;;;;;;;;;;;;;;;;;;+2;/p-2
InChIKeyUHZCKDGSJOWASE-UHFFFAOYSA-L
MW3741.11 g/mol
LogP45.27
Rot. Bonds37

About (4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane)

(4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane) (PubChem CID 161097469) has the molecular formula C184H174BBr5Cl2F9N11O2P6Pd2Sn and a molecular weight of 3741.11 g/mol. Its IUPAC name is (4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane).

Molecular Properties

Compound Name(4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane)
PubChem CID161097469
Molecular FormulaC184H174BBr5Cl2F9N11O2P6Pd2Sn
Molecular Weight3741.11 g/mol
Exact Mass3733.46
IUPAC Name(4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane)
SMILESBrc1ccnc(Br)c1.CC(C)c1cccc(C(C)C)c1-c1ccnc(-c2cnc(C(F)(F)F)nc2)c1.CC(C)c1cccc(C(C)C)c1B(O)O.CCCC[Sn](CCCC)(CCCC)c1cc(Br)ccn1.Cl[Pd]Cl.FC(F)(F)c1ncc(-c2cc(Br)ccn2)cn1.FC(F)(F)c1ncc(-c2cc(Br)ccn2)cn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22F3N3.6C18H15P.C12H19BO2.2C10H5BrF3N3.C5H3Br2N.C5H3BrN.3C4H9.2ClH.2Pd.Sn/c1-13(2)17-6-5-7-18(14(3)4)20(17)15-8-9-26-19(10-15)16-11-27-21(28-12-16)22(23,24)25;6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)10-6-5-7-11(9(3)4)12(10)13(14)15;2*11-7-1-2-15-8(3-7)6-4-16-9(17-5-6)10(12,13)14;6-4-1-2-8-5(7)3-4;6-5-1-3-7-4-2-5;3*1-3-4-2;;;;;/h5-14H,1-4H3;6*1-15H;5-9,14-15H,1-4H3;2*1-5H;1-3H;1-3H;3*1,3-4H2,2H3;2*1H;;;/q;;;;;;;;;;;;;;;;;;+2;/p-2
InChIKeyUHZCKDGSJOWASE-UHFFFAOYSA-L
XLogP45.27
TPSA182.25 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds37
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003741.11
LogP ≤ 545.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze (4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane) with MolForge

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Related Compounds

2-[6-[4-[2-[3,5-Bis[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridin-3-yl]-4-methyl-6-(trifluoromethyl)pyrimidine
CID 134191452
(5-Bromo-2-pyridinyl)-tributylstannane;bis(5-(5-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,5-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane)
CID 157561506
Lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane)
CID 159657151
2-(3-Bromophenyl)-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;dichloropalladium;1-ethynyl-4-fluorobenzene;2-[3-[2-(4-fluorophenyl)ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(triphenylphosphane)
CID 159964267
2-Bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane
CID 162098460
4-(4-Bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine;phenanthren-9-ylboronic acid;4-(4-phenanthren-9-ylphenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine
CID 157068329
2-[3,5-Bis(3-phenyl-5-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 157198267
4-(4-Bromophenyl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenylboronic acid;4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 158132251
2-(3-Bromo-5-phenanthren-9-ylphenyl)-4,6-diphenylpyrimidine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine;(4-pyridin-2-ylphenyl)boronic acid
CID 158625479
2-[3,5-Bis(3,5-dipyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-(3-methyl-5-pyridin-2-ylphenyl)pyridine
CID 159330805
2,4-Bis(3-bromo-5-phenylphenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4-[3-phenyl-5-(3-pyridin-2-ylphenyl)phenyl]-6-[3-phenyl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine;(3-pyridin-3-ylphenyl)boronic acid
CID 159496022
2,4-Bis(3-bromo-5-phenylphenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(6-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine;(6-phenyl-3-pyridinyl)boronic acid
CID 159587415

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane)?
The IUPAC name of (4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane) (CID 161097469) is (4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane).
What is the SMILES notation for (4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane)?
The canonical SMILES for (4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane) is Brc1ccnc(Br)c1.CC(C)c1cccc(C(C)C)c1-c1ccnc(-c2cnc(C(F)(F)F)nc2)c1.CC(C)c1cccc(C(C)C)c1B(O)O.CCCC[Sn](CCCC)(CCCC)c1cc(Br)ccn1.Cl[Pd]Cl.FC(F)(F)c1ncc(-c2cc(Br)ccn2)cn1.FC(F)(F)c1ncc(-c2cc(Br)ccn2)cn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)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 (4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane)?
The InChIKey is UHZCKDGSJOWASE-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H22F3N3.6C18H15P.C12H19BO2.2C10H5BrF3N3.C5H3Br2N.C5H3BrN.3C4H9.2ClH.2Pd.Sn/c1-13(2)17-6-5-7-18(14(3)4)20(17)15-8-9-26-19(10-15)16-11-27-21(28-12-16)22(23,24)25;6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)10-6-5-7-11(9(3)4)12(10)13(14)15;2*11-7-1-2-15-8(3-7)6-4-16-9(17-5-6)10(12,13)14;6-4-1-2-8-5(7)3-4;6-5-1-3-7-4-2-5;3*1-3-4-2;;;;;/h5-14H,1-4H3;6*1-15H;5-9,14-15H,1-4H3;2*1-5H;1-3H;1-3H;3*1,3-4H2,2H3;2*1H;;;/q;;;;;;;;;;;;;;;;;;+2;/p-2.
What are the key properties of (4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane)?
(4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane) has a molecular weight of 3741.11 g/mol, XLogP of 45.27, 37 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-pyridinyl)-tributylstannane;bis(5-(4-bromo-2-pyridinyl)-2-(trifluoromethyl)pyrimidine);2,4-dibromopyridine;dichloropalladium;[2,6-di(propan-2-yl)phenyl]boronic acid;5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;palladium;hexakis(triphenylphosphane) is sourced from PubChem (CID 161097469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).