copper;tris(2-pyridin-2-ylpyridine);ditetrafluoroborate

C30H24B2CuF8N6 — CID 139072497

IUPACcopper;tris(2-pyridin-2-ylpyridine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.2BF4.Cu/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h3*1-8H;;;/q;;;2*-1;+2
InChIKeyMHYMGYIYPBHODJ-UHFFFAOYSA-N
MW705.72 g/mol
LogP9.03
Rot. Bonds3

About copper;tris(2-pyridin-2-ylpyridine);ditetrafluoroborate

copper;tris(2-pyridin-2-ylpyridine);ditetrafluoroborate (PubChem CID 139072497) has the molecular formula C30H24B2CuF8N6 and a molecular weight of 705.72 g/mol. Its IUPAC name is copper;tris(2-pyridin-2-ylpyridine);ditetrafluoroborate.

Molecular Properties

Compound Namecopper;tris(2-pyridin-2-ylpyridine);ditetrafluoroborate
PubChem CID139072497
Molecular FormulaC30H24B2CuF8N6
Molecular Weight705.72 g/mol
Exact Mass705.14
IUPAC Namecopper;tris(2-pyridin-2-ylpyridine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.2BF4.Cu/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h3*1-8H;;;/q;;;2*-1;+2
InChIKeyMHYMGYIYPBHODJ-UHFFFAOYSA-N
XLogP9.03
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.72
LogP ≤ 59.03
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

2,3,5,6-Tetrakis(2-pyridyl)pyrazine
CID 3034360
Tris[2,2'-bipyridine]ruthenium dichloride
CID 84353
Iron(2+), tris(2,2'-bipyridine-N,N')-, dichloride
CID 203609
Iron, tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-
CID 3032636
Tris(2,2'-bipyridine)ruthenium(II) Bis(hexafluorophosphate)
CID 15198703
Tris(2,2'-bipyridyl-d8)ruthenium(II) hexafluorophosphate
CID 71311090
2,2':6',2''-Terpyridine Platinum(Ii) Chloride
CID 444486
Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridyl)-Fe(II) complex
CID 193497
2,2':6',2''-Terpyridine, 6,6'''-(1,6-hexanediyl)bis-
CID 3044372
2,2':6',2''-Terpyridine, 6,6'''-(1,7-heptanediyl)bis-
CID 3044374
2,2':6',2''-Terpyridine, 6,6'''-(3-hexene-1,6-diyl)bis-
CID 6446331

Frequently Asked Questions

What is the IUPAC name of copper;tris(2-pyridin-2-ylpyridine);ditetrafluoroborate?
The IUPAC name of copper;tris(2-pyridin-2-ylpyridine);ditetrafluoroborate (CID 139072497) is copper;tris(2-pyridin-2-ylpyridine);ditetrafluoroborate.
What is the SMILES notation for copper;tris(2-pyridin-2-ylpyridine);ditetrafluoroborate?
The canonical SMILES for copper;tris(2-pyridin-2-ylpyridine);ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;tris(2-pyridin-2-ylpyridine);ditetrafluoroborate?
The InChIKey is MHYMGYIYPBHODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H8N2.2BF4.Cu/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h3*1-8H;;;/q;;;2*-1;+2.
What are the key properties of copper;tris(2-pyridin-2-ylpyridine);ditetrafluoroborate?
copper;tris(2-pyridin-2-ylpyridine);ditetrafluoroborate has a molecular weight of 705.72 g/mol, XLogP of 9.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tris(2-pyridin-2-ylpyridine);ditetrafluoroborate is sourced from PubChem (CID 139072497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).