bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)

C36H30F6N6O6PtS2 — CID 139174362

IUPACbis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2].c1ccc(CN(c2ccccn2)c2ccccn2)cc1.c1ccc(CN(c2ccccn2)c2ccccn2)cc1
InChIInChI=1S/2C17H15N3.2CHF3O3S.Pt/c2*1-2-8-15(9-3-1)14-20(16-10-4-6-12-18-16)17-11-5-7-13-19-17;2*2-1(3,4)8(5,6)7;/h2*1-13H,14H2;2*(H,5,6,7);/q;;;;+2/p-2
InChIKeyVPYJXHMOEJRGRD-UHFFFAOYSA-L
MW1015.87 g/mol
LogP7.73
Rot. Bonds8

About bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)

bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate) (PubChem CID 139174362) has the molecular formula C36H30F6N6O6PtS2 and a molecular weight of 1015.87 g/mol. Its IUPAC name is bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namebis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)
PubChem CID139174362
Molecular FormulaC36H30F6N6O6PtS2
Molecular Weight1015.87 g/mol
Exact Mass1015.12
IUPAC Namebis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2].c1ccc(CN(c2ccccn2)c2ccccn2)cc1.c1ccc(CN(c2ccccn2)c2ccccn2)cc1
InChIInChI=1S/2C17H15N3.2CHF3O3S.Pt/c2*1-2-8-15(9-3-1)14-20(16-10-4-6-12-18-16)17-11-5-7-13-19-17;2*2-1(3,4)8(5,6)7;/h2*1-13H,14H2;2*(H,5,6,7);/q;;;;+2/p-2
InChIKeyVPYJXHMOEJRGRD-UHFFFAOYSA-L
XLogP7.73
TPSA172.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001015.87
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
CID 91581925
N-pyridin-1-ium-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine;trifluoromethanesulfonate;hydrate
CID 139156242
copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139200433
iridium(3+);bis(2-phenylpyridine);trifluoromethanesulfonate;dihydroxide
CID 74220779
N-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 141425890
4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide
CID 145422995
N-benzyl-4-nitro-N-pyridin-2-ylbenzenesulfonamide
CID 1087314
dichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten
CID 139186252
4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate
CID 131746946
diphenylsulfanium;trifluoromethanesulfonate
CID 22247522
N-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide
CID 3534369
N-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide
CID 90518235

Frequently Asked Questions

What is the IUPAC name of bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)?
The IUPAC name of bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate) (CID 139174362) is bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate).
What is the SMILES notation for bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)?
The canonical SMILES for bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2].c1ccc(CN(c2ccccn2)c2ccccn2)cc1.c1ccc(CN(c2ccccn2)c2ccccn2)cc1.
What is the InChIKey of bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)?
The InChIKey is VPYJXHMOEJRGRD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H15N3.2CHF3O3S.Pt/c2*1-2-8-15(9-3-1)14-20(16-10-4-6-12-18-16)17-11-5-7-13-19-17;2*2-1(3,4)8(5,6)7;/h2*1-13H,14H2;2*(H,5,6,7);/q;;;;+2/p-2.
What are the key properties of bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)?
bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate) has a molecular weight of 1015.87 g/mol, XLogP of 7.73, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139174362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).