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

C96H84Cl4N12O22Zn2 — CID 75731944

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

dizinc;tris(1-(5-phenylmethoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate (PubChem CID 75731944) has the molecular formula C96H84Cl4N12O22Zn2 and a molecular weight of 2030.38 g/mol. Its IUPAC name is dizinc;tris(1-(5-phenylmethoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate.

Molecular Properties

• Compound Name: dizinc;tris(1-(5-phenylmethoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate
• PubChem CID: 75731944
• Molecular Formula: C96H84Cl4N12O22Zn2
• Molecular Weight: 2030.38 g/mol
• Exact Mass: 2024.32
• IUPAC Name: dizinc;tris(1-(5-phenylmethoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate
• SMILES: C(=N/[C@@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)\c1ccc(OCc2ccccc2)cn1.C(=N/[C@@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)\c1ccc(OCc2ccccc2)cn1.C(=N[C@@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)c1ccc(OCc2ccccc2)cn1.[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/3C32H28N4O2.4ClHO4.2Zn/c3*1-3-9-25(10-4-1)23-38-29-16-15-28(34-21-29)20-36-32(27-11-5-2-6-12-27)24-37-22-26-14-17-31(35-19-26)30-13-7-8-18-33-30;4*2-1(3,4)5;;/h3*1-21,32H,22-24H2;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b2*36-20+;;;;;;;/t3*32-;;;;;;/m000....../s1
• InChIKey: JEYLDXIPYUPCTF-VPEZBXNGSA-J
• XLogP: 0.45
• TPSA: 577.43 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 33
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2030.38
LogP ≤ 5	0.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

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(1-(5-phenylmethoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate?

The IUPAC name of dizinc;tris(1-(5-phenylmethoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate (CID 75731944) is dizinc;tris(1-(5-phenylmethoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate.

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

The canonical SMILES for dizinc;tris(1-(5-phenylmethoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate is C(=N/[C@@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)\c1ccc(OCc2ccccc2)cn1.C(=N/[C@@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)\c1ccc(OCc2ccccc2)cn1.C(=N[C@@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)c1ccc(OCc2ccccc2)cn1.[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(1-(5-phenylmethoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate?

The InChIKey is JEYLDXIPYUPCTF-VPEZBXNGSA-J. The full InChI is InChI=1S/3C32H28N4O2.4ClHO4.2Zn/c3*1-3-9-25(10-4-1)23-38-29-16-15-28(34-21-29)20-36-32(27-11-5-2-6-12-27)24-37-22-26-14-17-31(35-19-26)30-13-7-8-18-33-30;4*2-1(3,4)5;;/h3*1-21,32H,22-24H2;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b2*36-20+;;;;;;;/t3*32-;;;;;;/m000....../s1.

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

dizinc;tris(1-(5-phenylmethoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate has a molecular weight of 2030.38 g/mol, XLogP of 0.45, 33 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for dizinc;tris(1-(5-phenylmethoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate is sourced from PubChem (CID 75731944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).