tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(2,4,6-trimethylpyridine)

C52H48Cu4F24N12 — CID 139130954

About tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(2,4,6-trimethylpyridine)

tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(2,4,6-trimethylpyridine) (PubChem CID 139130954) has the molecular formula C52H48Cu4F24N12 and a molecular weight of 1551.18 g/mol. Its IUPAC name is tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(2,4,6-trimethylpyridine).

Molecular Properties

• Compound Name: tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(2,4,6-trimethylpyridine)
• PubChem CID: 139130954
• Molecular Formula: C52H48Cu4F24N12
• Molecular Weight: 1551.18 g/mol
• Exact Mass: 1548.09
• IUPAC Name: tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(2,4,6-trimethylpyridine)
• SMILES: Cc1cc(C)nc(C)c1.Cc1cc(C)nc(C)c1.Cc1cc(C)nc(C)c1.Cc1cc(C)nc(C)c1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+]
• InChI: InChI=1S/4C8H11N.4C5HF6N2.4Cu/c4*1-6-4-7(2)9-8(3)5-6;4*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;/h4*4-5H,1-3H3;4*1H;;;;/q;;;;4*-1;4*+1
• InChIKey: OZEUGVVJZTZAAU-UHFFFAOYSA-N
• XLogP: 16.32
• TPSA: 159.52 Ų
• H-Bond Acceptors: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1551.18
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(2,4,6-trimethylpyridine)?

The IUPAC name of tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(2,4,6-trimethylpyridine) (CID 139130954) is tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(2,4,6-trimethylpyridine).

What is the SMILES notation for tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(2,4,6-trimethylpyridine)?

The canonical SMILES for tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(2,4,6-trimethylpyridine) is Cc1cc(C)nc(C)c1.Cc1cc(C)nc(C)c1.Cc1cc(C)nc(C)c1.Cc1cc(C)nc(C)c1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].

What is the InChIKey of tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(2,4,6-trimethylpyridine)?

The InChIKey is OZEUGVVJZTZAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H11N.4C5HF6N2.4Cu/c4*1-6-4-7(2)9-8(3)5-6;4*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;/h4*4-5H,1-3H3;4*1H;;;;/q;;;;4*-1;4*+1.

What are the key properties of tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(2,4,6-trimethylpyridine)?

tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(2,4,6-trimethylpyridine) has a molecular weight of 1551.18 g/mol, XLogP of 16.32, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(2,4,6-trimethylpyridine) is sourced from PubChem (CID 139130954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).