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);tetrachloride

C108H102Cl4Fe2N12O6 — CID 53491360

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);tetrachloride

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);tetrachloride (PubChem CID 53491360) has the molecular formula C108H102Cl4Fe2N12O6 and a molecular weight of 1917.58 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);tetrachloride.

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);tetrachloride
• PubChem CID: 53491360
• Molecular Formula: C108H102Cl4Fe2N12O6
• Molecular Weight: 1917.58 g/mol
• Exact Mass: 1914.55
• 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);tetrachloride
• 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.[Cl-].[Cl-].[Cl-].[Cl-].[Fe+2].[Fe+2]
• InChI: InChI=1S/3C36H34N4O2.4ClH.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;;;;;;/h3*1-24,35-36H,25-28H2;4*1H;;/q;;;;;;;2*+2/p-4/b3*39-23-,40-24+;;;;;;/t2*35-,36+;35-,36-;;;;;;/m101....../s1
• InChIKey: PBIOGLYXFUYBLB-AOOWVGRSSA-J
• XLogP: 9.70
• TPSA: 206.88 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 42
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1917.58
LogP ≤ 5	9.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

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);tetrachloride?

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);tetrachloride (CID 53491360) 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);tetrachloride.

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);tetrachloride?

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);tetrachloride 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.[Cl-].[Cl-].[Cl-].[Cl-].[Fe+2].[Fe+2].

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);tetrachloride?

The InChIKey is PBIOGLYXFUYBLB-AOOWVGRSSA-J. The full InChI is InChI=1S/3C36H34N4O2.4ClH.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;;;;;;/h3*1-24,35-36H,25-28H2;4*1H;;/q;;;;;;;2*+2/p-4/b3*39-23-,40-24+;;;;;;/t2*35-,36+;35-,36-;;;;;;/m101....../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);tetrachloride?

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);tetrachloride has a molecular weight of 1917.58 g/mol, XLogP of 9.70, 42 rotatable bonds, 0 hydrogen bond donors, and 18 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);tetrachloride is sourced from PubChem (CID 53491360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).