dichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine

C35H34Cl2FeN2OSi — CID 20701761

IUPACdichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine
SMILESC/C(=N\c1c(C)cc(C)cc1C)c1ccc(/C(C)=N/[Si](c2ccccc2)(c2ccccc2)c2ccccc2)o1.Cl[Fe]Cl
InChIInChI=1S/C35H34N2OSi.2ClH.Fe/c1-25-23-26(2)35(27(3)24-25)36-28(4)33-21-22-34(38-33)29(5)37-39(30-15-9-6-10-16-30,31-17-11-7-12-18-31)32-19-13-8-14-20-32;;;/h6-24H,1-5H3;2*1H;/q;;;+2/p-2/b36-28+,37-29+;;;
InChIKeyYCSSJHQQLXDVIX-UDZKADEWSA-L
MW653.51 g/mol
LogP8.20
Rot. Bonds7

About dichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine

dichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine (PubChem CID 20701761) has the molecular formula C35H34Cl2FeN2OSi and a molecular weight of 653.51 g/mol. Its IUPAC name is dichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine.

Molecular Properties

Compound Namedichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine
PubChem CID20701761
Molecular FormulaC35H34Cl2FeN2OSi
Molecular Weight653.51 g/mol
Exact Mass652.12
IUPAC Namedichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine
SMILESC/C(=N\c1c(C)cc(C)cc1C)c1ccc(/C(C)=N/[Si](c2ccccc2)(c2ccccc2)c2ccccc2)o1.Cl[Fe]Cl
InChIInChI=1S/C35H34N2OSi.2ClH.Fe/c1-25-23-26(2)35(27(3)24-25)36-28(4)33-21-22-34(38-33)29(5)37-39(30-15-9-6-10-16-30,31-17-11-7-12-18-31)32-19-13-8-14-20-32;;;/h6-24H,1-5H3;2*1H;/q;;;+2/p-2/b36-28+,37-29+;;;
InChIKeyYCSSJHQQLXDVIX-UDZKADEWSA-L
XLogP8.20
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.51
LogP ≤ 58.20
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 158184309
dichloroiron;N-[dimethylamino-[(E)-1-[5-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]furan-2-yl]ethylideneamino]phosphanyl]-N-methylmethanamine
CID 20702141
dichloroiron;1-[5-[C-phenyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 22968224
dichloroiron;1-[1-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]isoquinolin-3-yl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 140795238
1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;dichloroiron
CID 163240919
bis(dichloroiron);N-(3,5-dimethylphenyl)-1-[6-[N-[4-[[4-[1-[6-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 58660070
1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine;dichloroiron
CID 20701711
N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloroiron
CID 59305956
dichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 22968203
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 101458975
dichloroiron;1-phenyl-1-[5-[C-phenyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 22968219
dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine
CID 20701769

Frequently Asked Questions

What is the IUPAC name of dichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine?
The IUPAC name of dichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine (CID 20701761) is dichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine.
What is the SMILES notation for dichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine?
The canonical SMILES for dichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine is C/C(=N\c1c(C)cc(C)cc1C)c1ccc(/C(C)=N/[Si](c2ccccc2)(c2ccccc2)c2ccccc2)o1.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine?
The InChIKey is YCSSJHQQLXDVIX-UDZKADEWSA-L. The full InChI is InChI=1S/C35H34N2OSi.2ClH.Fe/c1-25-23-26(2)35(27(3)24-25)36-28(4)33-21-22-34(38-33)29(5)37-39(30-15-9-6-10-16-30,31-17-11-7-12-18-31)32-19-13-8-14-20-32;;;/h6-24H,1-5H3;2*1H;/q;;;+2/p-2/b36-28+,37-29+;;;.
What are the key properties of dichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine?
dichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine has a molecular weight of 653.51 g/mol, XLogP of 8.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine is sourced from PubChem (CID 20701761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).