bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate

C22H20F6N4O8Pd2S2-2 — CID 135085357

IUPACbis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate
SMILESO.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pd].[Pd].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2CHF3O3S.2H2O.2Pd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)8(5,6)7;;;;/h2*1-8H;2*(H,5,6,7);2*1H2;;/p-2
InChIKeyBGUPZUZTXRTJEW-UHFFFAOYSA-L
MW859.38 g/mol
LogP2.74
Rot. Bonds2

About bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate

bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate (PubChem CID 135085357) has the molecular formula C22H20F6N4O8Pd2S2-2 and a molecular weight of 859.38 g/mol. Its IUPAC name is bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate.

Molecular Properties

Compound Namebis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate
PubChem CID135085357
Molecular FormulaC22H20F6N4O8Pd2S2-2
Molecular Weight859.38 g/mol
Exact Mass857.87
IUPAC Namebis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate
SMILESO.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pd].[Pd].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2CHF3O3S.2H2O.2Pd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)8(5,6)7;;;;/h2*1-8H;2*(H,5,6,7);2*1H2;;/p-2
InChIKeyBGUPZUZTXRTJEW-UHFFFAOYSA-L
XLogP2.74
TPSA228.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500859.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
tris(2,2'-bipyridyl)cobalt(III)
CID 161059
cis-Dichlorobis(2,2'-bipyridine)ruthenium(II) dihydrate
CID 2734543
cis-Bis(2,2'-bipyridyl)dichlororuthenium(II)
CID 6398695
Tris(2,2'-bipyridine)ruthenium(II) Bis(hexafluorophosphate)
CID 15198703
cis-Bis(2,2'-bipyridine)dichlororuthenium(II) hydrate
CID 16211844
Tris(2,2'-bipyridyl-d8)ruthenium(II) hexafluorophosphate
CID 71311090
dichlorobis(2,2'-bipyridyl)chromium(III)
CID 147008
Iron(2+), tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-, perchlorate (1:2)
CID 84889
Ruthenium(2+), dichlorotetrakis(2-pyridyl)-, dihydrate (Z)-
CID 3054377
Tris(2,2'-bipyridine)cobalt(II) Bis(hexafluorophosphate)
CID 15610156
Tris(2,2'-bipyridine)iron(II) hexafluoro-phosphat
CID 45045670

Frequently Asked Questions

What is the IUPAC name of bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate?
The IUPAC name of bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate (CID 135085357) is bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate.
What is the SMILES notation for bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate?
The canonical SMILES for bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate is O.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pd].[Pd].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate?
The InChIKey is BGUPZUZTXRTJEW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.2CHF3O3S.2H2O.2Pd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)8(5,6)7;;;;/h2*1-8H;2*(H,5,6,7);2*1H2;;/p-2.
What are the key properties of bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate?
bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate has a molecular weight of 859.38 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate is sourced from PubChem (CID 135085357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).