bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate

C108H102Cl4Fe2N12O22 — CID 53481961

About bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate

bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate (PubChem CID 53481961) has the molecular formula C108H102Cl4Fe2N12O22 and a molecular weight of 2173.57 g/mol. Its IUPAC name is bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate.

Molecular Properties

• Compound Name: bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate
• PubChem CID: 53481961
• Molecular Formula: C108H102Cl4Fe2N12O22
• Molecular Weight: 2173.57 g/mol
• Exact Mass: 2170.47
• IUPAC Name: bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate
• SMILES: C(=N/[C@@H](COCc1ccc(COC[C@H](/N=C/c2ccccn2)c2ccccc2)cc1)c1ccccc1)\c1ccccn1.C(=N/[C@@H](COCc1ccc(COC[C@H](/N=C/c2ccccn2)c2ccccc2)cc1)c1ccccc1)\c1ccccn1.C(=N/[C@@H](COCc1ccc(COC[C@H](/N=C/c2ccccn2)c2ccccc2)cc1)c1ccccc1)\c1ccccn1.[Fe+2].[Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/3C36H34N4O2.4ClHO4.2Fe/c3*1-3-11-31(12-4-1)35(39-23-33-15-7-9-21-37-33)27-41-25-29-17-19-30(20-18-29)26-42-28-36(32-13-5-2-6-14-32)40-24-34-16-8-10-22-38-34;4*2-1(3,4)5;;/h3*1-24,35-36H,25-28H2;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b3*39-23+,40-24+;;;;;;/t3*35-,36-;;;;;;/m000....../s1
• InChIKey: GJIUWZPZYGQAAQ-QELPATEBSA-J
• XLogP: 2.66
• TPSA: 575.84 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 42
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2173.57
LogP ≤ 5	2.66
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 bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate?

The IUPAC name of bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate (CID 53481961) is bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate.

What is the SMILES notation for bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate?

The canonical SMILES for bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate is C(=N/[C@@H](COCc1ccc(COC[C@H](/N=C/c2ccccn2)c2ccccc2)cc1)c1ccccc1)\c1ccccn1.C(=N/[C@@H](COCc1ccc(COC[C@H](/N=C/c2ccccn2)c2ccccc2)cc1)c1ccccc1)\c1ccccn1.C(=N/[C@@H](COCc1ccc(COC[C@H](/N=C/c2ccccn2)c2ccccc2)cc1)c1ccccc1)\c1ccccn1.[Fe+2].[Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate?

The InChIKey is GJIUWZPZYGQAAQ-QELPATEBSA-J. The full InChI is InChI=1S/3C36H34N4O2.4ClHO4.2Fe/c3*1-3-11-31(12-4-1)35(39-23-33-15-7-9-21-37-33)27-41-25-29-17-19-30(20-18-29)26-42-28-36(32-13-5-2-6-14-32)40-24-34-16-8-10-22-38-34;4*2-1(3,4)5;;/h3*1-24,35-36H,25-28H2;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b3*39-23+,40-24+;;;;;;/t3*35-,36-;;;;;;/m000....../s1.

What are the key properties of bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate?

bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate has a molecular weight of 2173.57 g/mol, XLogP of 2.66, 42 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate is sourced from PubChem (CID 53481961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).