zinc 2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine

C30H16F6N6Zn — CID 58836133

About zinc 2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine

zinc 2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine (PubChem CID 58836133) has the molecular formula C30H16F6N6Zn and a molecular weight of 639.88 g/mol. Its IUPAC name is zinc 2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: zinc 2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine
• PubChem CID: 58836133
• Molecular Formula: C30H16F6N6Zn
• Molecular Weight: 639.88 g/mol
• Exact Mass: 638.06
• IUPAC Name: zinc 2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine
• SMILES: FC(F)(F)c1cc(-c2cccc(-c3ccccc3-c3ccccc3-c3cccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.[Zn+2]
• InChI: InChI=1S/C30H16F6N6.Zn/c31-29(32,33)27-15-25(39-41-27)23-13-5-11-21(37-23)19-9-3-1-7-17(19)18-8-2-4-10-20(18)22-12-6-14-24(38-22)26-16-28(42-40-26)30(34,35)36;/h1-16H;/q-2;+2
• InChIKey: WOEDJQSBGGJYDO-UHFFFAOYSA-N
• XLogP: 7.55
• TPSA: 79.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.88
LogP ≤ 5	7.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc 2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine?

The IUPAC name of zinc 2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine (CID 58836133) is zinc 2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine.

What is the SMILES notation for zinc 2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine?

The canonical SMILES for zinc 2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine is FC(F)(F)c1cc(-c2cccc(-c3ccccc3-c3ccccc3-c3cccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.[Zn+2].

What is the InChIKey of zinc 2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine?

The InChIKey is WOEDJQSBGGJYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16F6N6.Zn/c31-29(32,33)27-15-25(39-41-27)23-13-5-11-21(37-23)19-9-3-1-7-17(19)18-8-2-4-10-20(18)22-12-6-14-24(38-22)26-16-28(42-40-26)30(34,35)36;/h1-16H;/q-2;+2.

What are the key properties of zinc 2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine?

zinc 2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine has a molecular weight of 639.88 g/mol, XLogP of 7.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for zinc 2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 58836133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).