dizinc;tris(N-[(1R)-1-phenylethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate

C75H66Cl4N12O19Zn2 — CID 75731915

About dizinc;tris(N-[(1R)-1-phenylethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate

dizinc;tris(N-[(1R)-1-phenylethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate (PubChem CID 75731915) has the molecular formula C75H66Cl4N12O19Zn2 and a molecular weight of 1712.01 g/mol. Its IUPAC name is dizinc;tris(N-[(1R)-1-phenylethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate.

Molecular Properties

• Compound Name: dizinc;tris(N-[(1R)-1-phenylethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate
• PubChem CID: 75731915
• Molecular Formula: C75H66Cl4N12O19Zn2
• Molecular Weight: 1712.01 g/mol
• Exact Mass: 1706.19
• IUPAC Name: dizinc;tris(N-[(1R)-1-phenylethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate
• SMILES: C[C@@H](/N=C/c1ccc(OCc2ccc(-c3ccccn3)nc2)cn1)c1ccccc1.C[C@@H](/N=C/c1ccc(OCc2ccc(-c3ccccn3)nc2)cn1)c1ccccc1.C[C@@H](/N=C/c1ccc(OCc2ccc(-c3ccccn3)nc2)cn1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2]
• InChI: InChI=1S/3C25H22N4O.4ClHO4.2Zn/c3*1-19(21-7-3-2-4-8-21)27-16-22-11-12-23(17-28-22)30-18-20-10-13-25(29-15-20)24-9-5-6-14-26-24;4*2-1(3,4)5;;/h3*2-17,19H,18H2,1H3;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b3*27-16+;;;;;;/t3*19-;;;;;;/m111....../s1
• InChIKey: CXNGXYYYJYMULE-WWSLQQHESA-J
• XLogP: -3.14
• TPSA: 549.74 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1712.01
LogP ≤ 5	-3.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dizinc;tris(N-[(1R)-1-phenylethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate?

The IUPAC name of dizinc;tris(N-[(1R)-1-phenylethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate (CID 75731915) is dizinc;tris(N-[(1R)-1-phenylethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate.

What is the SMILES notation for dizinc;tris(N-[(1R)-1-phenylethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate?

The canonical SMILES for dizinc;tris(N-[(1R)-1-phenylethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate is C[C@@H](/N=C/c1ccc(OCc2ccc(-c3ccccn3)nc2)cn1)c1ccccc1.C[C@@H](/N=C/c1ccc(OCc2ccc(-c3ccccn3)nc2)cn1)c1ccccc1.C[C@@H](/N=C/c1ccc(OCc2ccc(-c3ccccn3)nc2)cn1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2].

What is the InChIKey of dizinc;tris(N-[(1R)-1-phenylethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate?

The InChIKey is CXNGXYYYJYMULE-WWSLQQHESA-J. The full InChI is InChI=1S/3C25H22N4O.4ClHO4.2Zn/c3*1-19(21-7-3-2-4-8-21)27-16-22-11-12-23(17-28-22)30-18-20-10-13-25(29-15-20)24-9-5-6-14-26-24;4*2-1(3,4)5;;/h3*2-17,19H,18H2,1H3;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b3*27-16+;;;;;;/t3*19-;;;;;;/m111....../s1.

What are the key properties of dizinc;tris(N-[(1R)-1-phenylethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate?

dizinc;tris(N-[(1R)-1-phenylethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate has a molecular weight of 1712.01 g/mol, XLogP of -3.14, 21 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for dizinc;tris(N-[(1R)-1-phenylethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate is sourced from PubChem (CID 75731915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).