dichloroiron;N-(4-trimethylsilylphenyl)-1-[5-[(4-trimethylsilylphenyl)iminomethyl]thiophen-2-yl]methanimine

C24H30Cl2FeN2SSi2 — CID 20701741

IUPACdichloroiron;N-(4-trimethylsilylphenyl)-1-[5-[(4-trimethylsilylphenyl)iminomethyl]thiophen-2-yl]methanimine
SMILESC[Si](C)(C)c1ccc(/N=C/c2ccc(/C=N/c3ccc([Si](C)(C)C)cc3)s2)cc1.Cl[Fe]Cl
InChIInChI=1S/C24H30N2SSi2.2ClH.Fe/c1-28(2,3)23-13-7-19(8-14-23)25-17-21-11-12-22(27-21)18-26-20-9-15-24(16-10-20)29(4,5)6;;;/h7-18H,1-6H3;2*1H;/q;;;+2/p-2/b25-17+,26-18+;;;
InChIKeyUGSMZUJWIUVGAY-HDZVPRFUSA-L
MW561.51 g/mol
LogP7.72
Rot. Bonds6

About dichloroiron;N-(4-trimethylsilylphenyl)-1-[5-[(4-trimethylsilylphenyl)iminomethyl]thiophen-2-yl]methanimine

dichloroiron;N-(4-trimethylsilylphenyl)-1-[5-[(4-trimethylsilylphenyl)iminomethyl]thiophen-2-yl]methanimine (PubChem CID 20701741) has the molecular formula C24H30Cl2FeN2SSi2 and a molecular weight of 561.51 g/mol. Its IUPAC name is dichloroiron;N-(4-trimethylsilylphenyl)-1-[5-[(4-trimethylsilylphenyl)iminomethyl]thiophen-2-yl]methanimine.

Molecular Properties

Compound Namedichloroiron;N-(4-trimethylsilylphenyl)-1-[5-[(4-trimethylsilylphenyl)iminomethyl]thiophen-2-yl]methanimine
PubChem CID20701741
Molecular FormulaC24H30Cl2FeN2SSi2
Molecular Weight561.51 g/mol
Exact Mass560.04
IUPAC Namedichloroiron;N-(4-trimethylsilylphenyl)-1-[5-[(4-trimethylsilylphenyl)iminomethyl]thiophen-2-yl]methanimine
SMILESC[Si](C)(C)c1ccc(/N=C/c2ccc(/C=N/c3ccc([Si](C)(C)C)cc3)s2)cc1.Cl[Fe]Cl
InChIInChI=1S/C24H30N2SSi2.2ClH.Fe/c1-28(2,3)23-13-7-19(8-14-23)25-17-21-11-12-22(27-21)18-26-20-9-15-24(16-10-20)29(4,5)6;;;/h7-18H,1-6H3;2*1H;/q;;;+2/p-2/b25-17+,26-18+;;;
InChIKeyUGSMZUJWIUVGAY-HDZVPRFUSA-L
XLogP7.72
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.51
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloroiron;N-(4-trimethylsilylphenyl)-1-[5-[(4-trimethylsilylphenyl)iminomethyl]thiophen-2-yl]methanimine?
The IUPAC name of dichloroiron;N-(4-trimethylsilylphenyl)-1-[5-[(4-trimethylsilylphenyl)iminomethyl]thiophen-2-yl]methanimine (CID 20701741) is dichloroiron;N-(4-trimethylsilylphenyl)-1-[5-[(4-trimethylsilylphenyl)iminomethyl]thiophen-2-yl]methanimine.
What is the SMILES notation for dichloroiron;N-(4-trimethylsilylphenyl)-1-[5-[(4-trimethylsilylphenyl)iminomethyl]thiophen-2-yl]methanimine?
The canonical SMILES for dichloroiron;N-(4-trimethylsilylphenyl)-1-[5-[(4-trimethylsilylphenyl)iminomethyl]thiophen-2-yl]methanimine is C[Si](C)(C)c1ccc(/N=C/c2ccc(/C=N/c3ccc([Si](C)(C)C)cc3)s2)cc1.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;N-(4-trimethylsilylphenyl)-1-[5-[(4-trimethylsilylphenyl)iminomethyl]thiophen-2-yl]methanimine?
The InChIKey is UGSMZUJWIUVGAY-HDZVPRFUSA-L. The full InChI is InChI=1S/C24H30N2SSi2.2ClH.Fe/c1-28(2,3)23-13-7-19(8-14-23)25-17-21-11-12-22(27-21)18-26-20-9-15-24(16-10-20)29(4,5)6;;;/h7-18H,1-6H3;2*1H;/q;;;+2/p-2/b25-17+,26-18+;;;.
What are the key properties of dichloroiron;N-(4-trimethylsilylphenyl)-1-[5-[(4-trimethylsilylphenyl)iminomethyl]thiophen-2-yl]methanimine?
dichloroiron;N-(4-trimethylsilylphenyl)-1-[5-[(4-trimethylsilylphenyl)iminomethyl]thiophen-2-yl]methanimine has a molecular weight of 561.51 g/mol, XLogP of 7.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;N-(4-trimethylsilylphenyl)-1-[5-[(4-trimethylsilylphenyl)iminomethyl]thiophen-2-yl]methanimine is sourced from PubChem (CID 20701741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).