N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane)

C39H59Cl2FeN3Si2 — CID 162451117

About N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane)

N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane) (PubChem CID 162451117) has the molecular formula C39H59Cl2FeN3Si2 and a molecular weight of 752.85 g/mol. Its IUPAC name is N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane).

Molecular Properties

• Compound Name: N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane)
• PubChem CID: 162451117
• Molecular Formula: C39H59Cl2FeN3Si2
• Molecular Weight: 752.85 g/mol
• Exact Mass: 751.30
• IUPAC Name: N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane)
• SMILES: CCc1cccc(Cl)c1/N=C(\C)c1cccc(/C(C)=N/c2c(Cl)cccc2CC)n1.[CH2-][Si](CC)(CC)CC.[CH2-][Si](CC)(CC)CC.[Fe+2]
• InChI: InChI=1S/C25H25Cl2N3.2C7H17Si.Fe/c1-5-18-10-7-12-20(26)24(18)28-16(3)22-14-9-15-23(30-22)17(4)29-25-19(6-2)11-8-13-21(25)27;2*1-5-8(4,6-2)7-3;/h7-15H,5-6H2,1-4H3;2*4-7H2,1-3H3;/q;2*-1;+2/b28-16+,29-17+
• InChIKey: NHTFWVVDDQMKAN-QWYDHZSYSA-N
• XLogP: 13.53
• TPSA: 37.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.85
LogP ≤ 5	13.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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'}

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane)?

The IUPAC name of N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane) (CID 162451117) is N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane).

What is the SMILES notation for N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane)?

The canonical SMILES for N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane) is CCc1cccc(Cl)c1/N=C(\C)c1cccc(/C(C)=N/c2c(Cl)cccc2CC)n1.[CH2-][Si](CC)(CC)CC.[CH2-][Si](CC)(CC)CC.[Fe+2].

What is the InChIKey of N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane)?

The InChIKey is NHTFWVVDDQMKAN-QWYDHZSYSA-N. The full InChI is InChI=1S/C25H25Cl2N3.2C7H17Si.Fe/c1-5-18-10-7-12-20(26)24(18)28-16(3)22-14-9-15-23(30-22)17(4)29-25-19(6-2)11-8-13-21(25)27;2*1-5-8(4,6-2)7-3;/h7-15H,5-6H2,1-4H3;2*4-7H2,1-3H3;/q;2*-1;+2/b28-16+,29-17+;;;.

What are the key properties of N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane)?

N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane) has a molecular weight of 752.85 g/mol, XLogP of 13.53, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane) is sourced from PubChem (CID 162451117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).