bis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate

C141H144Cl4Fe2N12O28 — CID 56597814

IUPACbis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate
SMILESC(=N/[C@@H](COCc1ccccc1)c1ccccc1)\c1ccc(OCCCCCOc2ccc(/C=N/[C@@H](COCc3ccccc3)c3ccccc3)nc2)cn1.C(=N/[C@@H](COCc1ccccc1)c1ccccc1)\c1ccc(OCCCCCOc2ccc(/C=N/[C@@H](COCc3ccccc3)c3ccccc3)nc2)cn1.C(=N/[C@@H](COCc1ccccc1)c1ccccc1)\c1ccc(OCCCCCOc2ccc(/C=N/[C@@H](COCc3ccccc3)c3ccccc3)nc2)cn1.[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-]
InChIInChI=1S/3C47H48N4O4.4ClHO4.2Fe/c3*1-6-16-38(17-7-1)34-52-36-46(40-20-10-3-11-21-40)50-30-42-24-26-44(32-48-42)54-28-14-5-15-29-55-45-27-25-43(49-33-45)31-51-47(41-22-12-4-13-23-41)37-53-35-39-18-8-2-9-19-39;4*2-1(3,4)5;;/h3*1-4,6-13,16-27,30-33,46-47H,5,14-15,28-29,34-37H2;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b3*50-30+,51-31+;;;;;;/t3*46-,47-;;;;;;/m000....../s1
InChIKeyGIPIGMDNSVAAOW-AIXVXBQPSA-J
MW2708.26 g/mol
LogP10.55
Rot. Bonds66

About bis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate

bis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate (PubChem CID 56597814) has the molecular formula C141H144Cl4Fe2N12O28 and a molecular weight of 2708.26 g/mol. Its IUPAC name is bis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate.

Molecular Properties

Compound Namebis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate
PubChem CID56597814
Molecular FormulaC141H144Cl4Fe2N12O28
Molecular Weight2708.26 g/mol
Exact Mass2704.77
IUPAC Namebis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate
SMILESC(=N/[C@@H](COCc1ccccc1)c1ccccc1)\c1ccc(OCCCCCOc2ccc(/C=N/[C@@H](COCc3ccccc3)c3ccccc3)nc2)cn1.C(=N/[C@@H](COCc1ccccc1)c1ccccc1)\c1ccc(OCCCCCOc2ccc(/C=N/[C@@H](COCc3ccccc3)c3ccccc3)nc2)cn1.C(=N/[C@@H](COCc1ccccc1)c1ccccc1)\c1ccc(OCCCCCOc2ccc(/C=N/[C@@H](COCc3ccccc3)c3ccccc3)nc2)cn1.[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-]
InChIInChI=1S/3C47H48N4O4.4ClHO4.2Fe/c3*1-6-16-38(17-7-1)34-52-36-46(40-20-10-3-11-21-40)50-30-42-24-26-44(32-48-42)54-28-14-5-15-29-55-45-27-25-43(49-33-45)31-51-47(41-22-12-4-13-23-41)37-53-35-39-18-8-2-9-19-39;4*2-1(3,4)5;;/h3*1-4,6-13,16-27,30-33,46-47H,5,14-15,28-29,34-37H2;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b3*50-30+,51-31+;;;;;;/t3*46-,47-;;;;;;/m000....../s1
InChIKeyGIPIGMDNSVAAOW-AIXVXBQPSA-J
XLogP10.55
TPSA631.22 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds66
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002708.26
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

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'}

Analyze bis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate with MolForge

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Related Compounds

(2S)-2-[[5-[5-[[6-[[(1S)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol
CID 53491370
1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine
CID 75731928
N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine
CID 75731939
(1E,3Z)-5-[[(1S)-1-phenylethyl]iminomethyl]-2-[5-[[6-[[(1S)-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]hexa-1,3,5-trien-1-amine
CID 87527218
1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine
CID 135078094
5-(3-phenylpropoxy)pyridine-2-carbaldehyde
CID 79794594
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
(E)-3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 129315372
1-(1-methylbenzimidazol-2-yl)-N-[2-[[4-[[2-[(1-methylbenzimidazol-2-yl)methylideneamino]-2-phosphanylethoxy]methyl]phenyl]methoxy]-1-phenylethyl]methanimine
CID 123167168
(2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol
CID 162458936
2-[(2S)-1-phenyl-3-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]guanidine
CID 16720731

Frequently Asked Questions

What is the IUPAC name of bis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate?
The IUPAC name of bis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate (CID 56597814) is bis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate.
What is the SMILES notation for bis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate?
The canonical SMILES for bis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate is C(=N/[C@@H](COCc1ccccc1)c1ccccc1)\c1ccc(OCCCCCOc2ccc(/C=N/[C@@H](COCc3ccccc3)c3ccccc3)nc2)cn1.C(=N/[C@@H](COCc1ccccc1)c1ccccc1)\c1ccc(OCCCCCOc2ccc(/C=N/[C@@H](COCc3ccccc3)c3ccccc3)nc2)cn1.C(=N/[C@@H](COCc1ccccc1)c1ccccc1)\c1ccc(OCCCCCOc2ccc(/C=N/[C@@H](COCc3ccccc3)c3ccccc3)nc2)cn1.[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-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate?
The InChIKey is GIPIGMDNSVAAOW-AIXVXBQPSA-J. The full InChI is InChI=1S/3C47H48N4O4.4ClHO4.2Fe/c3*1-6-16-38(17-7-1)34-52-36-46(40-20-10-3-11-21-40)50-30-42-24-26-44(32-48-42)54-28-14-5-15-29-55-45-27-25-43(49-33-45)31-51-47(41-22-12-4-13-23-41)37-53-35-39-18-8-2-9-19-39;4*2-1(3,4)5;;/h3*1-4,6-13,16-27,30-33,46-47H,5,14-15,28-29,34-37H2;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b3*50-30+,51-31+;;;;;;/t3*46-,47-;;;;;;/m000....../s1.
What are the key properties of bis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate?
bis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate has a molecular weight of 2708.26 g/mol, XLogP of 10.55, 66 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate is sourced from PubChem (CID 56597814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).