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

C78H72Cl4N12O22Zn2 — CID 75731958

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

dizinc;tris(1-(5-methoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate (PubChem CID 75731958) has the molecular formula C78H72Cl4N12O22Zn2 and a molecular weight of 1802.09 g/mol. Its IUPAC name is dizinc;tris(1-(5-methoxy-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-methoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate
• PubChem CID: 75731958
• Molecular Formula: C78H72Cl4N12O22Zn2
• Molecular Weight: 1802.09 g/mol
• Exact Mass: 1796.22
• IUPAC Name: dizinc;tris(1-(5-methoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate
• SMILES: COc1ccc(/C=N/[C@@H](COCc2ccc(-c3ccccn3)nc2)c2ccccc2)nc1.COc1ccc(/C=N/[C@@H](COCc2ccc(-c3ccccn3)nc2)c2ccccc2)nc1.COc1ccc(C=N[C@@H](COCc2ccc(-c3ccccn3)nc2)c2ccccc2)nc1.[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/3C26H24N4O2.4ClHO4.2Zn/c3*1-31-23-12-11-22(28-17-23)16-30-26(21-7-3-2-4-8-21)19-32-18-20-10-13-25(29-15-20)24-9-5-6-14-27-24;4*2-1(3,4)5;;/h3*2-17,26H,18-19H2,1H3;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b2*30-16+;;;;;;;/t3*26-;;;;;;/m000....../s1
• InChIKey: XBFMQMUZDLFVGA-CJQHUGFVSA-J
• XLogP: -4.26
• TPSA: 577.43 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1802.09
LogP ≤ 5	-4.26
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-methoxy-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-methoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate (CID 75731958) is dizinc;tris(1-(5-methoxy-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-methoxy-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-methoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate is COc1ccc(/C=N/[C@@H](COCc2ccc(-c3ccccn3)nc2)c2ccccc2)nc1.COc1ccc(/C=N/[C@@H](COCc2ccc(-c3ccccn3)nc2)c2ccccc2)nc1.COc1ccc(C=N[C@@H](COCc2ccc(-c3ccccn3)nc2)c2ccccc2)nc1.[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-methoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate?

The InChIKey is XBFMQMUZDLFVGA-CJQHUGFVSA-J. The full InChI is InChI=1S/3C26H24N4O2.4ClHO4.2Zn/c3*1-31-23-12-11-22(28-17-23)16-30-26(21-7-3-2-4-8-21)19-32-18-20-10-13-25(29-15-20)24-9-5-6-14-27-24;4*2-1(3,4)5;;/h3*2-17,26H,18-19H2,1H3;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b2*30-16+;;;;;;;/t3*26-;;;;;;/m000....../s1.

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

dizinc;tris(1-(5-methoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate has a molecular weight of 1802.09 g/mol, XLogP of -4.26, 27 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for dizinc;tris(1-(5-methoxy-2-pyridinyl)-N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine);tetraperchlorate is sourced from PubChem (CID 75731958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).