copper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate

C31H24CuF3N8O3S — CID 139148951

IUPACcopper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.[Cu+].c1ccc(N(c2ccccn2)c2ccccn2)nc1.c1ccc(N(c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/2C15H12N4.CHF3O3S.Cu/c2*1-4-10-16-13(7-1)19(14-8-2-5-11-17-14)15-9-3-6-12-18-15;2-1(3,4)8(5,6)7;/h2*1-12H;(H,5,6,7);/q;;;+1/p-1
InChIKeyDPWLDOAFLFLDML-UHFFFAOYSA-M
MW709.19 g/mol
LogP6.73
Rot. Bonds6

About copper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate

copper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate (PubChem CID 139148951) has the molecular formula C31H24CuF3N8O3S and a molecular weight of 709.19 g/mol. Its IUPAC name is copper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate.

Molecular Properties

Compound Namecopper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate
PubChem CID139148951
Molecular FormulaC31H24CuF3N8O3S
Molecular Weight709.19 g/mol
Exact Mass708.09
IUPAC Namecopper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.[Cu+].c1ccc(N(c2ccccn2)c2ccccn2)nc1.c1ccc(N(c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/2C15H12N4.CHF3O3S.Cu/c2*1-4-10-16-13(7-1)19(14-8-2-5-11-17-14)15-9-3-6-12-18-15;2-1(3,4)8(5,6)7;/h2*1-12H;(H,5,6,7);/q;;;+1/p-1
InChIKeyDPWLDOAFLFLDML-UHFFFAOYSA-M
XLogP6.73
TPSA141.02 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500709.19
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

Bis(di-2-pyridylamine-kappa^2^N^2^,N^2'^)silver(I) trifluoromethanesulfonate
CID 139061000
Bis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate)
CID 139141033
zinc;methanol;bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)
CID 139156244
zinc;bis(N-pyridin-2-ylpyridin-2-amine);bis(trifluoromethanesulfonate)
CID 139162570
Bis(2-iodobenzyldi(2-pyridyl)amine)platinum(II) triflate
CID 139174356
Bis(benzyldi(2-pyridyl)amine)platinum(II) triflate
CID 139174362
Trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate)
CID 139183347
fac-Triaqua[tris(2-pyridyl)amine]chromium(III) trifluoromethanesulfonate
CID 168308748
Tetrapyridylethylenediamine
CID 10021950
N2,N2,N4,N4,N6,N6-Hexa(pyridin-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 59203920
2-N,2-N,6-N,6-N-tetrapyridin-2-ylpyridine-2,6-diamine
CID 101177533
Copper(1+);tetrakis(pyridine);trifluoromethanesulfonate
CID 157257494

Frequently Asked Questions

What is the IUPAC name of copper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate?
The IUPAC name of copper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate (CID 139148951) is copper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate.
What is the SMILES notation for copper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate?
The canonical SMILES for copper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate is O=S(=O)([O-])C(F)(F)F.[Cu+].c1ccc(N(c2ccccn2)c2ccccn2)nc1.c1ccc(N(c2ccccn2)c2ccccn2)nc1.
What is the InChIKey of copper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate?
The InChIKey is DPWLDOAFLFLDML-UHFFFAOYSA-M. The full InChI is InChI=1S/2C15H12N4.CHF3O3S.Cu/c2*1-4-10-16-13(7-1)19(14-8-2-5-11-17-14)15-9-3-6-12-18-15;2-1(3,4)8(5,6)7;/h2*1-12H;(H,5,6,7);/q;;;+1/p-1.
What are the key properties of copper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate?
copper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate has a molecular weight of 709.19 g/mol, XLogP of 6.73, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate is sourced from PubChem (CID 139148951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).