3,5-dibromopyridine;dichloropalladium;3,5-dipyridin-2-ylpyridine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane)

C73H75Br2Cl2N5P2PdSn — CID 158652023

IUPAC3,5-dibromopyridine;dichloropalladium;3,5-dipyridin-2-ylpyridine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane)
SMILESBrc1cncc(Br)c1.CCCC[Sn](CCCC)(CCCC)c1ccccn1.Cl[Pd]Cl.c1ccc(-c2cncc(-c3ccccn3)c2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C15H11N3.C5H3Br2N.C5H4N.3C4H9.2ClH.Pd.Sn/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-17-14(5-1)12-9-13(11-16-10-12)15-6-2-4-8-18-15;6-4-1-5(7)3-8-2-4;1-2-4-6-5-3-1;3*1-3-4-2;;;;/h2*1-15H;1-11H;1-3H;1-4H;3*1,3-4H2,2H3;2*1H;;/q;;;;;;;;;;+2;/p-2
InChIKeyIBRCKVDQYREDOL-UHFFFAOYSA-L
MW1540.23 g/mol
LogP19.22
Rot. Bonds18

About 3,5-dibromopyridine;dichloropalladium;3,5-dipyridin-2-ylpyridine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane)

3,5-dibromopyridine;dichloropalladium;3,5-dipyridin-2-ylpyridine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane) (PubChem CID 158652023) has the molecular formula C73H75Br2Cl2N5P2PdSn and a molecular weight of 1540.23 g/mol. Its IUPAC name is 3,5-dibromopyridine;dichloropalladium;3,5-dipyridin-2-ylpyridine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane).

Molecular Properties

Compound Name3,5-dibromopyridine;dichloropalladium;3,5-dipyridin-2-ylpyridine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane)
PubChem CID158652023
Molecular FormulaC73H75Br2Cl2N5P2PdSn
Molecular Weight1540.23 g/mol
Exact Mass1537.13
IUPAC Name3,5-dibromopyridine;dichloropalladium;3,5-dipyridin-2-ylpyridine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane)
SMILESBrc1cncc(Br)c1.CCCC[Sn](CCCC)(CCCC)c1ccccn1.Cl[Pd]Cl.c1ccc(-c2cncc(-c3ccccn3)c2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C15H11N3.C5H3Br2N.C5H4N.3C4H9.2ClH.Pd.Sn/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-17-14(5-1)12-9-13(11-16-10-12)15-6-2-4-8-18-15;6-4-1-5(7)3-8-2-4;1-2-4-6-5-3-1;3*1-3-4-2;;;;/h2*1-15H;1-11H;1-3H;1-4H;3*1,3-4H2,2H3;2*1H;;/q;;;;;;;;;;+2;/p-2
InChIKeyIBRCKVDQYREDOL-UHFFFAOYSA-L
XLogP19.22
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001540.23
LogP ≤ 519.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 71311434
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2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium
CID 159260015
4-Phenylbutylamine-derived pentameric cyclic helicate
CID 53389309
3-Phenylpropylamine-derived pentameric cyclic helicate
CID 53389318
2-Phenylethylamine-derived pentameric cyclic helicate
CID 53389319
Benzylamine-derived pentameric cyclic helicate
CID 53389320
5-Bromo-2-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]pyridine
CID 101526146
Bromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-lambda5-phosphane
CID 134932896
[5-Bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenylphosphanium bromide
CID 176442787
Tris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium
CID 15102794
Tris(2-(3-bromophenyl)pyridine);iridium(3+)
CID 17836206

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromopyridine;dichloropalladium;3,5-dipyridin-2-ylpyridine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane)?
The IUPAC name of 3,5-dibromopyridine;dichloropalladium;3,5-dipyridin-2-ylpyridine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane) (CID 158652023) is 3,5-dibromopyridine;dichloropalladium;3,5-dipyridin-2-ylpyridine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane).
What is the SMILES notation for 3,5-dibromopyridine;dichloropalladium;3,5-dipyridin-2-ylpyridine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane)?
The canonical SMILES for 3,5-dibromopyridine;dichloropalladium;3,5-dipyridin-2-ylpyridine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane) is Brc1cncc(Br)c1.CCCC[Sn](CCCC)(CCCC)c1ccccn1.Cl[Pd]Cl.c1ccc(-c2cncc(-c3ccccn3)c2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3,5-dibromopyridine;dichloropalladium;3,5-dipyridin-2-ylpyridine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane)?
The InChIKey is IBRCKVDQYREDOL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.C15H11N3.C5H3Br2N.C5H4N.3C4H9.2ClH.Pd.Sn/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-17-14(5-1)12-9-13(11-16-10-12)15-6-2-4-8-18-15;6-4-1-5(7)3-8-2-4;1-2-4-6-5-3-1;3*1-3-4-2;;;;/h2*1-15H;1-11H;1-3H;1-4H;3*1,3-4H2,2H3;2*1H;;/q;;;;;;;;;;+2;/p-2.
What are the key properties of 3,5-dibromopyridine;dichloropalladium;3,5-dipyridin-2-ylpyridine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane)?
3,5-dibromopyridine;dichloropalladium;3,5-dipyridin-2-ylpyridine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane) has a molecular weight of 1540.23 g/mol, XLogP of 19.22, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromopyridine;dichloropalladium;3,5-dipyridin-2-ylpyridine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane) is sourced from PubChem (CID 158652023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).