Tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate

C₄₀H₃₂B₂Cu₃F₈N₁₂ — CID 139131031

About Tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate

Tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate (PubChem CID 139131031) has the molecular formula C₄₀H₃₂B₂Cu₃F₈N₁₂ and a molecular weight of 1045.03 g/mol. Its IUPAC name is tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate.

Molecular Properties

• Compound Name: Tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate
• PubChem CID: 139131031
• Molecular Formula: C₄₀H₃₂B₂Cu₃F₈N₁₂
• Molecular Weight: 1045.03 g/mol
• Exact Mass: 1043.08
• IUPAC Name: tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate
• SMILES: F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].[Cu+2].[Cu+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
• InChI: InChI=1S/4C10H8N3.2BF4.3Cu/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1(3,4)5;;;/h4*1-8H;;;;;/q6*-1;3*+2
• InChIKey: IVTGMERWSXQWTL-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 159.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1045.03
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate?

The IUPAC name of Tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate (CID 139131031) is tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate.

What is the SMILES notation for Tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate?

The canonical SMILES for Tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].[Cu+2].[Cu+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.

What is the InChIKey of Tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate?

The InChIKey is IVTGMERWSXQWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H8N3.2BF4.3Cu/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1(3,4)5;;;/h4*1-8H;;;;;/q6*-1;3*+2.

What are the key properties of Tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate?

Tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate has a molecular weight of 1045.03 g/mol, XLogP of 13.85, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate is sourced from PubChem (CID 139131031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139131031 — identifiers, structure, computed properties (public domain)

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