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

C75H66Cl4N12O19Zn2 — CID 75731935

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

dizinc;tris(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate (PubChem CID 75731935) has the molecular formula C75H66Cl4N12O19Zn2 and a molecular weight of 1712.01 g/mol. Its IUPAC name is dizinc;tris(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate.

Molecular Properties

• Compound Name: dizinc;tris(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate
• PubChem CID: 75731935
• Molecular Formula: C75H66Cl4N12O19Zn2
• Molecular Weight: 1712.01 g/mol
• Exact Mass: 1706.19
• IUPAC Name: dizinc;tris(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate
• SMILES: C(=N/[C@@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)\c1ccccn1.C(=N/[C@@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)\c1ccccn1.C(=N/[C@@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)\c1ccccn1.[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*1-2-8-21(9-3-1)25(29-17-22-10-4-6-14-26-22)19-30-18-20-12-13-24(28-16-20)23-11-5-7-15-27-23;4*2-1(3,4)5;;/h3*1-17,25H,18-19H2;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b3*29-17+;;;;;;/t3*25-;;;;;;/m000....../s1
• InChIKey: JWPDWEWOCOKHJA-IDZIQOTBSA-J
• XLogP: -4.28
• TPSA: 549.74 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1712.01
LogP ≤ 5	-4.28
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-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate?

The IUPAC name of dizinc;tris(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate (CID 75731935) is dizinc;tris(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate.

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

The canonical SMILES for dizinc;tris(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate is C(=N/[C@@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)\c1ccccn1.C(=N/[C@@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)\c1ccccn1.C(=N/[C@@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)\c1ccccn1.[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-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate?

The InChIKey is JWPDWEWOCOKHJA-IDZIQOTBSA-J. The full InChI is InChI=1S/3C25H22N4O.4ClHO4.2Zn/c3*1-2-8-21(9-3-1)25(29-17-22-10-4-6-14-26-22)19-30-18-20-12-13-24(28-16-20)23-11-5-7-15-27-23;4*2-1(3,4)5;;/h3*1-17,25H,18-19H2;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b3*29-17+;;;;;;/t3*25-;;;;;;/m000....../s1.

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

dizinc;tris(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate has a molecular weight of 1712.01 g/mol, XLogP of -4.28, 24 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-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate is sourced from PubChem (CID 75731935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).