N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride

C25H27Cl3N3V-3 — CID 173243974

IUPACN-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride
SMILESC/C(=N\c1c(C)cccc1C)c1cccc(/C(C)=N/c2c(C)cccc2C)n1.[Cl-].[Cl-].[Cl-].[V]
InChIInChI=1S/C25H27N3.3ClH.V/c1-16-10-7-11-17(2)24(16)26-20(5)22-14-9-15-23(28-22)21(6)27-25-18(3)12-8-13-19(25)4;;;;/h7-15H,1-6H3;3*1H;/p-3/b26-20+,27-21+;;;;
InChIKeyLLMKYBDXXLCTDO-XTFINWPQSA-K
MW526.82 g/mol
LogP-2.39
Rot. Bonds4

About N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride

N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride (PubChem CID 173243974) has the molecular formula C25H27Cl3N3V-3 and a molecular weight of 526.82 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride
PubChem CID173243974
Molecular FormulaC25H27Cl3N3V-3
Molecular Weight526.82 g/mol
Exact Mass525.07
IUPAC NameN-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride
SMILESC/C(=N\c1c(C)cccc1C)c1cccc(/C(C)=N/c2c(C)cccc2C)n1.[Cl-].[Cl-].[Cl-].[V]
InChIInChI=1S/C25H27N3.3ClH.V/c1-16-10-7-11-17(2)24(16)26-20(5)22-14-9-15-23(28-22)21(6)27-25-18(3)12-8-13-19(25)4;;;;/h7-15H,1-6H3;3*1H;/p-3/b26-20+,27-21+;;;;
InChIKeyLLMKYBDXXLCTDO-XTFINWPQSA-K
XLogP-2.39
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.82
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride?
The IUPAC name of N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride (CID 173243974) is N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride is C/C(=N\c1c(C)cccc1C)c1cccc(/C(C)=N/c2c(C)cccc2C)n1.[Cl-].[Cl-].[Cl-].[V].
What is the InChIKey of N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride?
The InChIKey is LLMKYBDXXLCTDO-XTFINWPQSA-K. The full InChI is InChI=1S/C25H27N3.3ClH.V/c1-16-10-7-11-17(2)24(16)26-20(5)22-14-9-15-23(28-22)21(6)27-25-18(3)12-8-13-19(25)4;;;;/h7-15H,1-6H3;3*1H;/p-3/b26-20+,27-21+;;;;.
What are the key properties of N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride?
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride has a molecular weight of 526.82 g/mol, XLogP of -2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride is sourced from PubChem (CID 173243974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).