copper;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate

C42H30B2CuF8N6 — CID 139069361

IUPACcopper;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/2C21H15N3.2BF4.Cu/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;2*2-1(3,4)5;/h2*1-15H;;;/q;;2*-1;+2
InChIKeyBVBJQWXRGTXXPC-UHFFFAOYSA-N
MW855.90 g/mol
LogP12.34
Rot. Bonds6

About copper;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate

copper;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate (PubChem CID 139069361) has the molecular formula C42H30B2CuF8N6 and a molecular weight of 855.90 g/mol. Its IUPAC name is copper;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate.

Molecular Properties

Compound Namecopper;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
PubChem CID139069361
Molecular FormulaC42H30B2CuF8N6
Molecular Weight855.90 g/mol
Exact Mass855.19
IUPAC Namecopper;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/2C21H15N3.2BF4.Cu/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;2*2-1(3,4)5;/h2*1-15H;;;/q;;2*-1;+2
InChIKeyBVBJQWXRGTXXPC-UHFFFAOYSA-N
XLogP12.34
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.90
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
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Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
CID 60160592
[mu-1,2-Bis(4-pyridyl)ethane-kappa^2^N:N']bis[(4'-phenyl-2,2':6',2''-terpyridine-kappa^3^N,N',N'')silver(I)] bis(trifluoromethanesulfonate)
CID 139080008
Manganese(2+);tris(2-pyridin-2-ylpyridine);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139098886
Bis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);platinum(2+)
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Frequently Asked Questions

What is the IUPAC name of copper;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?
The IUPAC name of copper;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate (CID 139069361) is copper;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate.
What is the SMILES notation for copper;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?
The canonical SMILES for copper;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of copper;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?
The InChIKey is BVBJQWXRGTXXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H15N3.2BF4.Cu/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;2*2-1(3,4)5;/h2*1-15H;;;/q;;2*-1;+2.
What are the key properties of copper;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?
copper;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate has a molecular weight of 855.90 g/mol, XLogP of 12.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate is sourced from PubChem (CID 139069361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).