bis(N-[(2-iodophenyl)methyl]-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)

C36H28F6I2N6O6PtS2 — CID 139174356

IUPACbis(N-[(2-iodophenyl)methyl]-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)
SMILESIc1ccccc1CN(c1ccccn1)c1ccccn1.Ic1ccccc1CN(c1ccccn1)c1ccccn1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2]
InChIInChI=1S/2C17H14IN3.2CHF3O3S.Pt/c2*18-15-8-2-1-7-14(15)13-21(16-9-3-5-11-19-16)17-10-4-6-12-20-17;2*2-1(3,4)8(5,6)7;/h2*1-12H,13H2;2*(H,5,6,7);/q;;;;+2/p-2
InChIKeyWRLNCGMORZZVDN-UHFFFAOYSA-L
MW1267.66 g/mol
LogP8.94
Rot. Bonds8

About bis(N-[(2-iodophenyl)methyl]-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)

bis(N-[(2-iodophenyl)methyl]-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate) (PubChem CID 139174356) has the molecular formula C36H28F6I2N6O6PtS2 and a molecular weight of 1267.66 g/mol. Its IUPAC name is bis(N-[(2-iodophenyl)methyl]-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namebis(N-[(2-iodophenyl)methyl]-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)
PubChem CID139174356
Molecular FormulaC36H28F6I2N6O6PtS2
Molecular Weight1267.66 g/mol
Exact Mass1266.92
IUPAC Namebis(N-[(2-iodophenyl)methyl]-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)
SMILESIc1ccccc1CN(c1ccccn1)c1ccccn1.Ic1ccccc1CN(c1ccccn1)c1ccccn1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2]
InChIInChI=1S/2C17H14IN3.2CHF3O3S.Pt/c2*18-15-8-2-1-7-14(15)13-21(16-9-3-5-11-19-16)17-10-4-6-12-20-17;2*2-1(3,4)8(5,6)7;/h2*1-12H,13H2;2*(H,5,6,7);/q;;;;+2/p-2
InChIKeyWRLNCGMORZZVDN-UHFFFAOYSA-L
XLogP8.94
TPSA172.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001267.66
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

Bis(di-2-pyridylamine-kappa^2^N^2^,N^2'^)silver(I) trifluoromethanesulfonate
CID 139061000
copper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate
CID 139148951
zinc;bis(N-pyridin-2-ylpyridin-2-amine);bis(trifluoromethanesulfonate)
CID 139162570
Bis(benzyldi(2-pyridyl)amine)platinum(II) triflate
CID 139174362
Bis(2-cyanobenzyldi(2-pyridyl)amine)platinum(II) triflate
CID 139174364
fac-Triaqua[tris(2-pyridyl)amine]chromium(III) trifluoromethanesulfonate
CID 168308748
[Cu2(Ph)DPFN](NTf2)2,n(o-C6H4F2)
CID 168334508
platinum(2+);N-pyridin-2-yl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine
CID 57739696

Frequently Asked Questions

What is the IUPAC name of bis(N-[(2-iodophenyl)methyl]-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)?
The IUPAC name of bis(N-[(2-iodophenyl)methyl]-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate) (CID 139174356) is bis(N-[(2-iodophenyl)methyl]-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate).
What is the SMILES notation for bis(N-[(2-iodophenyl)methyl]-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)?
The canonical SMILES for bis(N-[(2-iodophenyl)methyl]-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate) is Ic1ccccc1CN(c1ccccn1)c1ccccn1.Ic1ccccc1CN(c1ccccn1)c1ccccn1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2].
What is the InChIKey of bis(N-[(2-iodophenyl)methyl]-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)?
The InChIKey is WRLNCGMORZZVDN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H14IN3.2CHF3O3S.Pt/c2*18-15-8-2-1-7-14(15)13-21(16-9-3-5-11-19-16)17-10-4-6-12-20-17;2*2-1(3,4)8(5,6)7;/h2*1-12H,13H2;2*(H,5,6,7);/q;;;;+2/p-2.
What are the key properties of bis(N-[(2-iodophenyl)methyl]-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)?
bis(N-[(2-iodophenyl)methyl]-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate) has a molecular weight of 1267.66 g/mol, XLogP of 8.94, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[(2-iodophenyl)methyl]-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139174356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).