1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)

C46H58ClFeN3Si2 — CID 162451110

IUPAC1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
SMILESCCc1cc(C)cc(C)c1/N=C(\c1ccccc1)c1cccc(/C(=N/c2c(Cl)cc(C)cc2CC)c2ccccc2)n1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Fe+2]
InChIInChI=1S/C38H36ClN3.2C4H11Si.Fe/c1-6-28-22-25(3)21-27(5)35(28)41-37(30-15-10-8-11-16-30)33-19-14-20-34(40-33)38(31-17-12-9-13-18-31)42-36-29(7-2)23-26(4)24-32(36)39;2*1-5(2,3)4;/h8-24H,6-7H2,1-5H3;2*1H2,2-4H3;/q;2*-1;+2/b41-37+,42-38+;;;
InChIKeyUZINMSQFJBWXID-XMSVOTGESA-N
MW800.46 g/mol
LogP13.52
Rot. Bonds8

About 1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)

1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane) (PubChem CID 162451110) has the molecular formula C46H58ClFeN3Si2 and a molecular weight of 800.46 g/mol. Its IUPAC name is 1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane).

Molecular Properties

Compound Name1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
PubChem CID162451110
Molecular FormulaC46H58ClFeN3Si2
Molecular Weight800.46 g/mol
Exact Mass799.32
IUPAC Name1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
SMILESCCc1cc(C)cc(C)c1/N=C(\c1ccccc1)c1cccc(/C(=N/c2c(Cl)cc(C)cc2CC)c2ccccc2)n1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Fe+2]
InChIInChI=1S/C38H36ClN3.2C4H11Si.Fe/c1-6-28-22-25(3)21-27(5)35(28)41-37(30-15-10-8-11-16-30)33-19-14-20-34(40-33)38(31-17-12-9-13-18-31)42-36-29(7-2)23-26(4)24-32(36)39;2*1-5(2,3)4;/h8-24H,6-7H2,1-5H3;2*1H2,2-4H3;/q;2*-1;+2/b41-37+,42-38+;;;
InChIKeyUZINMSQFJBWXID-XMSVOTGESA-N
XLogP13.52
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.46
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane) with MolForge

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Related Compounds

N-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane)
CID 162451119
1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine
CID 162451109
N-(2-chloro-6-methylphenyl)-1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
CID 162451136
1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
CID 162451118
1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane)
CID 162451139
N-(2,6-diethyl-4-methylphenyl)-1-[6-[N-(2,6-diethyl-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium(2+);dichloride
CID 173243023
1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;iron(2+);bis(methanidyl(trimethyl)-λ4-sulfane)
CID 157029121
dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine
CID 142048555
N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloroiron
CID 157029122
N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloroiron
CID 59305956
N-(2,6-diethyl-4-methylphenyl)-1-[6-[N-(2,6-diethyl-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(3+);trichloride
CID 173243949
1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;dichloroiron
CID 163240919

Frequently Asked Questions

What is the IUPAC name of 1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)?
The IUPAC name of 1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane) (CID 162451110) is 1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane).
What is the SMILES notation for 1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)?
The canonical SMILES for 1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane) is CCc1cc(C)cc(C)c1/N=C(\c1ccccc1)c1cccc(/C(=N/c2c(Cl)cc(C)cc2CC)c2ccccc2)n1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Fe+2].
What is the InChIKey of 1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)?
The InChIKey is UZINMSQFJBWXID-XMSVOTGESA-N. The full InChI is InChI=1S/C38H36ClN3.2C4H11Si.Fe/c1-6-28-22-25(3)21-27(5)35(28)41-37(30-15-10-8-11-16-30)33-19-14-20-34(40-33)38(31-17-12-9-13-18-31)42-36-29(7-2)23-26(4)24-32(36)39;2*1-5(2,3)4;/h8-24H,6-7H2,1-5H3;2*1H2,2-4H3;/q;2*-1;+2/b41-37+,42-38+;;;.
What are the key properties of 1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)?
1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane) has a molecular weight of 800.46 g/mol, XLogP of 13.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane) is sourced from PubChem (CID 162451110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).