dizinc;tris(N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate

C78H72Cl4N12O22Zn2 — CID 75731936

About dizinc;tris(N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate

dizinc;tris(N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate (PubChem CID 75731936) has the molecular formula C78H72Cl4N12O22Zn2 and a molecular weight of 1802.09 g/mol. Its IUPAC name is dizinc;tris(N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate.

Molecular Properties

• Compound Name: dizinc;tris(N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate
• PubChem CID: 75731936
• Molecular Formula: C78H72Cl4N12O22Zn2
• Molecular Weight: 1802.09 g/mol
• Exact Mass: 1796.22
• IUPAC Name: dizinc;tris(N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate
• SMILES: COc1ccc([C@@H](C)/N=C/c2ccc(OCc3ccc(-c4ccccn4)nc3)cn2)cc1.COc1ccc([C@@H](C)/N=C/c2ccc(OCc3ccc(-c4ccccn4)nc3)cn2)cc1.COc1ccc([C@@H](C)/N=C/c2ccc(OCc3ccc(-c4ccccn4)nc3)cn2)cc1.[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*1-19(21-7-10-23(31-2)11-8-21)28-16-22-9-12-24(17-29-22)32-18-20-6-13-26(30-15-20)25-5-3-4-14-27-25;4*2-1(3,4)5;;/h3*3-17,19H,18H2,1-2H3;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b3*28-16+;;;;;;/t3*19-;;;;;;/m111....../s1
• InChIKey: DCHHDZOMYPQLCH-CFLJPENGSA-J
• XLogP: -3.11
• TPSA: 577.43 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1802.09
LogP ≤ 5	-3.11
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(N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate?

The IUPAC name of dizinc;tris(N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate (CID 75731936) is dizinc;tris(N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate.

What is the SMILES notation for dizinc;tris(N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate?

The canonical SMILES for dizinc;tris(N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate is COc1ccc([C@@H](C)/N=C/c2ccc(OCc3ccc(-c4ccccn4)nc3)cn2)cc1.COc1ccc([C@@H](C)/N=C/c2ccc(OCc3ccc(-c4ccccn4)nc3)cn2)cc1.COc1ccc([C@@H](C)/N=C/c2ccc(OCc3ccc(-c4ccccn4)nc3)cn2)cc1.[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-(4-methoxyphenyl)ethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate?

The InChIKey is DCHHDZOMYPQLCH-CFLJPENGSA-J. The full InChI is InChI=1S/3C26H24N4O2.4ClHO4.2Zn/c3*1-19(21-7-10-23(31-2)11-8-21)28-16-22-9-12-24(17-29-22)32-18-20-6-13-26(30-15-20)25-5-3-4-14-27-25;4*2-1(3,4)5;;/h3*3-17,19H,18H2,1-2H3;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b3*28-16+;;;;;;/t3*19-;;;;;;/m111....../s1.

What are the key properties of dizinc;tris(N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate?

dizinc;tris(N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate has a molecular weight of 1802.09 g/mol, XLogP of -3.11, 24 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for dizinc;tris(N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate is sourced from PubChem (CID 75731936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).