tris(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);copper;tris(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);nickel;zinc

C96H66Cl3CuF9N18NiO6Zn — CID 158049229

About tris(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);copper;tris(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);nickel;zinc

tris(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);copper;tris(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);nickel;zinc (PubChem CID 158049229) has the molecular formula C96H66Cl3CuF9N18NiO6Zn and a molecular weight of 2032.67 g/mol. Its IUPAC name is tris(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);copper;tris(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);nickel;zinc.

Molecular Properties

• Compound Name: tris(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);copper;tris(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);nickel;zinc
• PubChem CID: 158049229
• Molecular Formula: C96H66Cl3CuF9N18NiO6Zn
• Molecular Weight: 2032.67 g/mol
• Exact Mass: 2027.23
• IUPAC Name: tris(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);copper;tris(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);nickel;zinc
• SMILES: Cc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Cc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Cc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Oc1ccc2ccccc2c1/N=N/c1ncc(C(F)(F)F)cc1Cl.Oc1ccc2ccccc2c1/N=N/c1ncc(C(F)(F)F)cc1Cl.Oc1ccc2ccccc2c1/N=N/c1ncc(C(F)(F)F)cc1Cl.[Cu].[Ni].[Zn]
• InChI: InChI=1S/3C16H9ClF3N3O.3C16H13N3O.Cu.Ni.Zn/c3*17-12-7-10(16(18,19)20)8-21-15(12)23-22-14-11-4-2-1-3-9(11)5-6-13(14)24;3*1-11-5-4-8-15(17-11)18-19-16-13-7-3-2-6-12(13)9-10-14(16)20;;;/h3*1-8,24H;3*2-10,20H,1H3;;;/b3*23-22+;3*19-18+
• InChIKey: GPAIGINPZVOCES-QNQRGHIPSA-N
• XLogP: 32.07
• TPSA: 347.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2032.67
LogP ≤ 5	32.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);copper;tris(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);nickel;zinc?

The IUPAC name of tris(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);copper;tris(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);nickel;zinc (CID 158049229) is tris(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);copper;tris(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);nickel;zinc.

What is the SMILES notation for tris(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);copper;tris(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);nickel;zinc?

The canonical SMILES for tris(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);copper;tris(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);nickel;zinc is Cc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Cc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Cc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Oc1ccc2ccccc2c1/N=N/c1ncc(C(F)(F)F)cc1Cl.Oc1ccc2ccccc2c1/N=N/c1ncc(C(F)(F)F)cc1Cl.Oc1ccc2ccccc2c1/N=N/c1ncc(C(F)(F)F)cc1Cl.[Cu].[Ni].[Zn].

What is the InChIKey of tris(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);copper;tris(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);nickel;zinc?

The InChIKey is GPAIGINPZVOCES-QNQRGHIPSA-N. The full InChI is InChI=1S/3C16H9ClF3N3O.3C16H13N3O.Cu.Ni.Zn/c3*17-12-7-10(16(18,19)20)8-21-15(12)23-22-14-11-4-2-1-3-9(11)5-6-13(14)24;3*1-11-5-4-8-15(17-11)18-19-16-13-7-3-2-6-12(13)9-10-14(16)20;;;/h3*1-8,24H;3*2-10,20H,1H3;;;/b3*23-22+;3*19-18+;;;.

What are the key properties of tris(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);copper;tris(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);nickel;zinc?

tris(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);copper;tris(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);nickel;zinc has a molecular weight of 2032.67 g/mol, XLogP of 32.07, 12 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tris(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);copper;tris(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);nickel;zinc is sourced from PubChem (CID 158049229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).