bis((2R)-2-[[5-[5-[[2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol);(2R)-2-[[5-[5-[[6-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol;bis(iron(2+));tetraperchlorate

C99H108Cl4Fe2N12O28 — CID 53491357

About bis((2R)-2-[[5-[5-[[2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol);(2R)-2-[[5-[5-[[6-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol;bis(iron(2+));tetraperchlorate

bis((2R)-2-[[5-[5-[[2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol);(2R)-2-[[5-[5-[[6-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol;bis(iron(2+));tetraperchlorate (PubChem CID 53491357) has the molecular formula C99H108Cl4Fe2N12O28 and a molecular weight of 2167.51 g/mol. Its IUPAC name is bis((2R)-2-[[5-[5-[[2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol);(2R)-2-[[5-[5-[[6-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol;bis(iron(2+));tetraperchlorate.

Molecular Properties

• Compound Name: bis((2R)-2-[[5-[5-[[2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol);(2R)-2-[[5-[5-[[6-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol;bis(iron(2+));tetraperchlorate
• PubChem CID: 53491357
• Molecular Formula: C99H108Cl4Fe2N12O28
• Molecular Weight: 2167.51 g/mol
• Exact Mass: 2164.48
• IUPAC Name: bis((2R)-2-[[5-[5-[[2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol);(2R)-2-[[5-[5-[[6-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol;bis(iron(2+));tetraperchlorate
• SMILES: OC[C@H](/N=C/c1ccc(OCCCCCOc2ccc(/C=N/[C@@H](CO)c3ccccc3)nc2)cn1)c1ccccc1.OC[C@H](/N=C/c1ccc(OCCCCCOc2ccnc(/C=N/[C@@H](CO)c3ccccc3)c2)cn1)c1ccccc1.OC[C@H](/N=C/c1ccc(OCCCCCOc2ccnc(/C=N/[C@@H](CO)c3ccccc3)c2)cn1)c1ccccc1.[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/3C33H36N4O4.4ClHO4.2Fe/c38-24-32(26-10-4-1-5-11-26)36-20-28-14-16-30(22-34-28)40-18-8-3-9-19-41-31-17-15-29(35-23-31)21-37-33(25-39)27-12-6-2-7-13-27;2*38-24-32(26-10-4-1-5-11-26)36-21-28-14-15-31(23-35-28)41-19-9-3-8-18-40-30-16-17-34-29(20-30)22-37-33(25-39)27-12-6-2-7-13-27;4*2-1(3,4)5;;/h3*1-2,4-7,10-17,20-23,32-33,38-39H,3,8-9,18-19,24-25H2;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b36-20+,37-21+;2*36-21+,37-22+;;;;;;/t3*32-,33-;;;;;;/m000....../s1
• InChIKey: ABWOVVYBMAUXGM-WLXAZTLMSA-J
• XLogP: -2.80
• TPSA: 697.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 48
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2167.51
LogP ≤ 5	-2.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis((2R)-2-[[5-[5-[[2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol);(2R)-2-[[5-[5-[[6-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol;bis(iron(2+));tetraperchlorate?

The IUPAC name of bis((2R)-2-[[5-[5-[[2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol);(2R)-2-[[5-[5-[[6-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol;bis(iron(2+));tetraperchlorate (CID 53491357) is bis((2R)-2-[[5-[5-[[2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol);(2R)-2-[[5-[5-[[6-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol;bis(iron(2+));tetraperchlorate.

What is the SMILES notation for bis((2R)-2-[[5-[5-[[2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol);(2R)-2-[[5-[5-[[6-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol;bis(iron(2+));tetraperchlorate?

The canonical SMILES for bis((2R)-2-[[5-[5-[[2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol);(2R)-2-[[5-[5-[[6-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol;bis(iron(2+));tetraperchlorate is OC[C@H](/N=C/c1ccc(OCCCCCOc2ccc(/C=N/[C@@H](CO)c3ccccc3)nc2)cn1)c1ccccc1.OC[C@H](/N=C/c1ccc(OCCCCCOc2ccnc(/C=N/[C@@H](CO)c3ccccc3)c2)cn1)c1ccccc1.OC[C@H](/N=C/c1ccc(OCCCCCOc2ccnc(/C=N/[C@@H](CO)c3ccccc3)c2)cn1)c1ccccc1.[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((2R)-2-[[5-[5-[[2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol);(2R)-2-[[5-[5-[[6-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol;bis(iron(2+));tetraperchlorate?

The InChIKey is ABWOVVYBMAUXGM-WLXAZTLMSA-J. The full InChI is InChI=1S/3C33H36N4O4.4ClHO4.2Fe/c38-24-32(26-10-4-1-5-11-26)36-20-28-14-16-30(22-34-28)40-18-8-3-9-19-41-31-17-15-29(35-23-31)21-37-33(25-39)27-12-6-2-7-13-27;2*38-24-32(26-10-4-1-5-11-26)36-21-28-14-15-31(23-35-28)41-19-9-3-8-18-40-30-16-17-34-29(20-30)22-37-33(25-39)27-12-6-2-7-13-27;4*2-1(3,4)5;;/h3*1-2,4-7,10-17,20-23,32-33,38-39H,3,8-9,18-19,24-25H2;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b36-20+,37-21+;2*36-21+,37-22+;;;;;;/t3*32-,33-;;;;;;/m000....../s1.

What are the key properties of bis((2R)-2-[[5-[5-[[2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol);(2R)-2-[[5-[5-[[6-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol;bis(iron(2+));tetraperchlorate?

bis((2R)-2-[[5-[5-[[2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol);(2R)-2-[[5-[5-[[6-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol;bis(iron(2+));tetraperchlorate has a molecular weight of 2167.51 g/mol, XLogP of -2.80, 48 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for bis((2R)-2-[[5-[5-[[2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol);(2R)-2-[[5-[5-[[6-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol;bis(iron(2+));tetraperchlorate is sourced from PubChem (CID 53491357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).