dicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate

C48H48B4Cu2F16N8 — CID 139203153

IUPACdicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate
SMILESCc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].[Cu+2]
InChIInChI=1S/4C12H12N2.4BF4.2Cu/c4*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;4*2-1(3,4)5;;/h4*3-8H,1-2H3;;;;;;/q;;;;4*-1;2*+2
InChIKeyAAIWCQVMVVSZRI-UHFFFAOYSA-N
MW1211.28 g/mol
LogP16.24
Rot. Bonds4

About dicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate

dicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate (PubChem CID 139203153) has the molecular formula C48H48B4Cu2F16N8 and a molecular weight of 1211.28 g/mol. Its IUPAC name is dicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate.

Molecular Properties

Compound Namedicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate
PubChem CID139203153
Molecular FormulaC48H48B4Cu2F16N8
Molecular Weight1211.28 g/mol
Exact Mass1210.27
IUPAC Namedicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate
SMILESCc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].[Cu+2]
InChIInChI=1S/4C12H12N2.4BF4.2Cu/c4*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;4*2-1(3,4)5;;/h4*3-8H,1-2H3;;;;;;/q;;;;4*-1;2*+2
InChIKeyAAIWCQVMVVSZRI-UHFFFAOYSA-N
XLogP16.24
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001211.28
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Disilver;bis(2-methyl-6-[6-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine);bis(trifluoromethanesulfonate)
CID 139177536
Bis(copper(1+));bis(2-methyl-6-[6-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine);bis(trifluoromethanesulfonate)
CID 139177538
Copper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate
CID 139200509
3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tris(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 160804666
[5,10,15,20-tetrakis(1-methylpyridin-4(1H)-ylidene)-5,10,15,20,22,24-hexahydroporphyrinato(4-)-kappa~4~N~21~,N~22~,N~23~,N~24~]copper
CID 3292428
Blue dimer
CID 138376466
Tris(2,2'-bipyridine-kappa^2^N,N')copper(II) bis(tetrafluoridoborate)
CID 139072497
Bis(6,6'-dimethyl-2,2'-dipyridyl-kappa^2^N,N')silver(I) tetrafluoridoborate
CID 139072752
CuTMPEN
CID 139088412
Bis(2,6-dipyridin-2-ylpyridine);palladium;tritetrafluoroborate
CID 139122646
Acetonitrile;bis(2,6-bis(6-fluoro-2-pyridinyl)pyridine);iron(2+);ditetrafluoroborate
CID 139125239
Tetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate
CID 139127502

Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate?
The IUPAC name of dicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate (CID 139203153) is dicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate.
What is the SMILES notation for dicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate?
The canonical SMILES for dicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate is Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate?
The InChIKey is AAIWCQVMVVSZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H12N2.4BF4.2Cu/c4*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;4*2-1(3,4)5;;/h4*3-8H,1-2H3;;;;;;/q;;;;4*-1;2*+2.
What are the key properties of dicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate?
dicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate has a molecular weight of 1211.28 g/mol, XLogP of 16.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate is sourced from PubChem (CID 139203153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).