copper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+)

C53H47CuF6N9O7S2V — CID 139142956

IUPACcopper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+)
SMILESC/C1=C/C(C)=N/c2ccccc2/N=C(C)/C=C(/C)[N-]c2ccccc2[N-]1.CC(c1ccccn1)(c1ccccn1)c1cccc(C(C)(c2ccccn2)c2ccccn2)n1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].[O-2].[V+4]
InChIInChI=1S/C29H25N5.C22H22N4.2CHF3O3S.Cu.O.V/c1-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(2,24-14-5-9-20-32-24)25-15-6-10-21-33-25;1-15-13-16(2)24-21-11-7-8-12-22(21)26-18(4)14-17(3)25-20-10-6-5-9-19(20)23-15;2*2-1(3,4)8(5,6)7;;;/h3-21H,1-2H3;5-14H,1-4H3;2*(H,5,6,7);;;/q;-2;;;+2;-2;+4/p-2/b;15-13-,17-14-,24-16+,26-18+;;;;;
InChIKeyBIAAWFDCKAQGJK-PCQGFPGTSA-L
MW1214.63 g/mol
LogP12.75
Rot. Bonds6

About copper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+)

copper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+) (PubChem CID 139142956) has the molecular formula C53H47CuF6N9O7S2V and a molecular weight of 1214.63 g/mol. Its IUPAC name is copper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+).

Molecular Properties

Compound Namecopper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+)
PubChem CID139142956
Molecular FormulaC53H47CuF6N9O7S2V
Molecular Weight1214.63 g/mol
Exact Mass1213.17
IUPAC Namecopper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+)
SMILESC/C1=C/C(C)=N/c2ccccc2/N=C(C)/C=C(/C)[N-]c2ccccc2[N-]1.CC(c1ccccn1)(c1ccccn1)c1cccc(C(C)(c2ccccn2)c2ccccn2)n1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].[O-2].[V+4]
InChIInChI=1S/C29H25N5.C22H22N4.2CHF3O3S.Cu.O.V/c1-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(2,24-14-5-9-20-32-24)25-15-6-10-21-33-25;1-15-13-16(2)24-21-11-7-8-12-22(21)26-18(4)14-17(3)25-20-10-6-5-9-19(20)23-15;2*2-1(3,4)8(5,6)7;;;/h3-21H,1-2H3;5-14H,1-4H3;2*(H,5,6,7);;;/q;-2;;;+2;-2;+4/p-2/b;15-13-,17-14-,24-16+,26-18+;;;;;
InChIKeyBIAAWFDCKAQGJK-PCQGFPGTSA-L
XLogP12.75
TPSA260.27 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001214.63
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze copper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+) with MolForge

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Related Compounds

[Co(bpyPY2Me)(MeCN)(OTf)](OTf)
CID 139042184
[Co(bpy(PYCF3)2)(MeCN)(OTf)](OTf)
CID 139042186
Acetonitrile;cobalt(2+);2-(1,1-dipyridin-2-ylethyl)-6-(pyridin-2-ylmethyl)pyridine;bis(trifluoromethanesulfonate)
CID 139042190
[Cu(bpy2py))2OTf*2CH3CN
CID 139042424
[Zn(bpy2py)OTf)OTf*CH3CN
CID 139042425
[Co(bpy2pyCF3)OTf)OTf*5CH3CN
CID 139042426
((CF3PY5Me2)Co(NCCH3))(CF3SO3)2
CID 139042639
Acetonitrile;antimony(3+);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tris(trifluoromethanesulfonate)
CID 139046316
ZINC;bis(1,10-phenanthroline);bis(trifluoromethanesulfonate)
CID 139048112
Bis(1,10-phenanthroline)(dicyanamido)copper(II) trifluoromethanesulfonate
CID 139058873
Bis(4,4'-di-tert-butyl-2,2'-bipyridine-kappa^2^N,N')silver(I) trifluoromethanesulfonate
CID 139072979
Tris(1,10-phenanthroline-kappa^2^N,N')iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate
CID 139087157

Frequently Asked Questions

What is the IUPAC name of copper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+)?
The IUPAC name of copper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+) (CID 139142956) is copper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+).
What is the SMILES notation for copper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+)?
The canonical SMILES for copper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+) is C/C1=C/C(C)=N/c2ccccc2/N=C(C)/C=C(/C)[N-]c2ccccc2[N-]1.CC(c1ccccn1)(c1ccccn1)c1cccc(C(C)(c2ccccn2)c2ccccn2)n1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].[O-2].[V+4].
What is the InChIKey of copper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+)?
The InChIKey is BIAAWFDCKAQGJK-PCQGFPGTSA-L. The full InChI is InChI=1S/C29H25N5.C22H22N4.2CHF3O3S.Cu.O.V/c1-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(2,24-14-5-9-20-32-24)25-15-6-10-21-33-25;1-15-13-16(2)24-21-11-7-8-12-22(21)26-18(4)14-17(3)25-20-10-6-5-9-19(20)23-15;2*2-1(3,4)8(5,6)7;;;/h3-21H,1-2H3;5-14H,1-4H3;2*(H,5,6,7);;;/q;-2;;;+2;-2;+4/p-2/b;15-13-,17-14-,24-16+,26-18+;;;;;.
What are the key properties of copper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+)?
copper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+) has a molecular weight of 1214.63 g/mol, XLogP of 12.75, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2,6-bis(1,1-dipyridin-2-ylethyl)pyridine;oxygen(2-);(4Z,14Z)-3,5,14,16-tetramethyl-2,17-diaza-6,13-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene;bis(trifluoromethanesulfonate);vanadium(4+) is sourced from PubChem (CID 139142956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).