platinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate)

C22H18F6N4O6PtS2 — CID 139140728

IUPACplatinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2].c1ccc(-c2ccccn2)nc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C10H8N2.2C5H5N.2CHF3O3S.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h1-8H;2*1-5H;2*(H,5,6,7);/q;;;;;+2/p-2
InChIKeyJMRJPLUGKOGVDE-UHFFFAOYSA-L
MW807.61 g/mol
LogP4.41
Rot. Bonds1

About platinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate)

platinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate) (PubChem CID 139140728) has the molecular formula C22H18F6N4O6PtS2 and a molecular weight of 807.61 g/mol. Its IUPAC name is platinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Nameplatinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate)
PubChem CID139140728
Molecular FormulaC22H18F6N4O6PtS2
Molecular Weight807.61 g/mol
Exact Mass807.02
IUPAC Nameplatinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2].c1ccc(-c2ccccn2)nc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C10H8N2.2C5H5N.2CHF3O3S.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h1-8H;2*1-5H;2*(H,5,6,7);/q;;;;;+2/p-2
InChIKeyJMRJPLUGKOGVDE-UHFFFAOYSA-L
XLogP4.41
TPSA165.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500807.61
LogP ≤ 54.41
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'-difluoro-2,2'-bipyridinium bis(trifluoromethane-sulfonate)
CID 10814995
Copper;tetrakis(pyridine);bis(trifluoromethanesulfonate)
CID 139159651
tris-(2,2'-bipyridine)cobalt(III)tri(bis(trifluoromethane)sulfonimide)
CID 168434989
tris-(2,2'-bipyridine)cobalt(II)di(bis(trifluoromethane)sulfonimide)
CID 170898766
[Fe(OTf)2(tpa)]
CID 53314868
[Fe(OTf)2(bpbp)]
CID 53314869
Acetonitrile;1-(dipyridin-2-ylmethyl)-4,7-dimethyl-1,4,7-triazonane;iron(2+);bis(trifluoromethanesulfonate)
CID 53314872
N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;iron(2+);bis(trifluoromethanesulfonate)
CID 53314874
bis(1-N,2-N-dimethyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine);iron(2+);iron(3+);oxygen(2-);bis(trifluoromethanesulfonate);hydroxide
CID 53314875
iron(2+);1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(trifluoromethanesulfonate)
CID 53350275
Bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate
CID 135085357
2-Pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth
CID 138974233

Frequently Asked Questions

What is the IUPAC name of platinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate)?
The IUPAC name of platinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate) (CID 139140728) is platinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate).
What is the SMILES notation for platinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate)?
The canonical SMILES for platinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2].c1ccc(-c2ccccn2)nc1.c1ccncc1.c1ccncc1.
What is the InChIKey of platinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate)?
The InChIKey is JMRJPLUGKOGVDE-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8N2.2C5H5N.2CHF3O3S.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h1-8H;2*1-5H;2*(H,5,6,7);/q;;;;;+2/p-2.
What are the key properties of platinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate)?
platinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate) has a molecular weight of 807.61 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139140728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).