platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid

C17H12F3N2O3PtS- — CID 21024803

IUPACplatinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.[Pt].[c-]1c(-c2ccccn2)cccc1-c1ccccn1
InChIInChI=1S/C16H11N2.CHF3O3S.Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;2-1(3,4)8(5,6)7;/h1-11H;(H,5,6,7);/q-1;;
InChIKeyYEOCSAREFUSLGJ-UHFFFAOYSA-N
MW576.43 g/mol
LogP4.00
Rot. Bonds2

About platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid

platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid (PubChem CID 21024803) has the molecular formula C17H12F3N2O3PtS- and a molecular weight of 576.43 g/mol. Its IUPAC name is platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid.

Molecular Properties

Compound Nameplatinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid
PubChem CID21024803
Molecular FormulaC17H12F3N2O3PtS-
Molecular Weight576.43 g/mol
Exact Mass576.02
IUPAC Nameplatinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.[Pt].[c-]1c(-c2ccccn2)cccc1-c1ccccn1
InChIInChI=1S/C16H11N2.CHF3O3S.Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;2-1(3,4)8(5,6)7;/h1-11H;(H,5,6,7);/q-1;;
InChIKeyYEOCSAREFUSLGJ-UHFFFAOYSA-N
XLogP4.00
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine
CID 171470504
CID 161225125
CID 161225125
anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 157414617
copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139200433
ethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 21024826
2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel
CID 153499003
CID 134886226
CID 134886226
6-pyridin-2-ylpyridine-2-sulfonic acid
CID 15219955
bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 58637296
2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel
CID 153499233
iridium(3+);bis(2-phenylpyridine);trifluoromethanesulfonate;dihydroxide
CID 74220779
2-[5-(trifluoromethylsulfonyl)thiophen-2-yl]pyridine
CID 70975076

Frequently Asked Questions

What is the IUPAC name of platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid?
The IUPAC name of platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid (CID 21024803) is platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid.
What is the SMILES notation for platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid?
The canonical SMILES for platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid is O=S(=O)(O)C(F)(F)F.[Pt].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.
What is the InChIKey of platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid?
The InChIKey is YEOCSAREFUSLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N2.CHF3O3S.Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;2-1(3,4)8(5,6)7;/h1-11H;(H,5,6,7);/q-1;;.
What are the key properties of platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid?
platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid has a molecular weight of 576.43 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid is sourced from PubChem (CID 21024803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).