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

C41H47Cl2FeN3Si2 — CID 162451136

IUPACN-(2-chloro-6-methylphenyl)-1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
SMILESCc1cccc(Cl)c1/N=C(\c1ccccc1)c1cccc(/C(=N/c2c(C)cccc2Cl)c2ccccc2)n1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Fe+2]
InChIInChI=1S/C33H25Cl2N3.2C4H11Si.Fe/c1-22-12-9-18-26(34)30(22)37-32(24-14-5-3-6-15-24)28-20-11-21-29(36-28)33(25-16-7-4-8-17-25)38-31-23(2)13-10-19-27(31)35;2*1-5(2,3)4;/h3-21H,1-2H3;2*1H2,2-4H3;/q;2*-1;+2/b37-32+,38-33+;;;
InChIKeyPMTQUDAZXKALJE-GOHSJAILSA-N
MW764.77 g/mol
LogP12.74
Rot. Bonds6

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

N-(2-chloro-6-methylphenyl)-1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane) (PubChem CID 162451136) has the molecular formula C41H47Cl2FeN3Si2 and a molecular weight of 764.77 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane).

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
PubChem CID162451136
Molecular FormulaC41H47Cl2FeN3Si2
Molecular Weight764.77 g/mol
Exact Mass763.20
IUPAC NameN-(2-chloro-6-methylphenyl)-1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
SMILESCc1cccc(Cl)c1/N=C(\c1ccccc1)c1cccc(/C(=N/c2c(C)cccc2Cl)c2ccccc2)n1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Fe+2]
InChIInChI=1S/C33H25Cl2N3.2C4H11Si.Fe/c1-22-12-9-18-26(34)30(22)37-32(24-14-5-3-6-15-24)28-20-11-21-29(36-28)33(25-16-7-4-8-17-25)38-31-23(2)13-10-19-27(31)35;2*1-5(2,3)4;/h3-21H,1-2H3;2*1H2,2-4H3;/q;2*-1;+2/b37-32+,38-33+;;;
InChIKeyPMTQUDAZXKALJE-GOHSJAILSA-N
XLogP12.74
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.77
LogP ≤ 512.74
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)?
The IUPAC name of 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) is N-(2-chloro-6-methylphenyl)-1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane).
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane) is Cc1cccc(Cl)c1/N=C(\c1ccccc1)c1cccc(/C(=N/c2c(C)cccc2Cl)c2ccccc2)n1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Fe+2].
What is the InChIKey of N-(2-chloro-6-methylphenyl)-1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)?
The InChIKey is PMTQUDAZXKALJE-GOHSJAILSA-N. The full InChI is InChI=1S/C33H25Cl2N3.2C4H11Si.Fe/c1-22-12-9-18-26(34)30(22)37-32(24-14-5-3-6-15-24)28-20-11-21-29(36-28)33(25-16-7-4-8-17-25)38-31-23(2)13-10-19-27(31)35;2*1-5(2,3)4;/h3-21H,1-2H3;2*1H2,2-4H3;/q;2*-1;+2/b37-32+,38-33+;;;.
What are the key properties of N-(2-chloro-6-methylphenyl)-1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)?
N-(2-chloro-6-methylphenyl)-1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane) has a molecular weight of 764.77 g/mol, XLogP of 12.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane) is sourced from PubChem (CID 162451136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).