N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride

C43H63Cl3N3V-3 — CID 173243593

IUPACN-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride
SMILESCCCCc1cc(CCCC)c(/N=C/c2cccc(/C=N/c3c(CCCC)cc(CCCC)cc3CCCC)n2)c(CCCC)c1.[Cl-].[Cl-].[Cl-].[V]
InChIInChI=1S/C43H63N3.3ClH.V/c1-7-13-20-34-28-36(22-15-9-3)42(37(29-34)23-16-10-4)44-32-40-26-19-27-41(46-40)33-45-43-38(24-17-11-5)30-35(21-14-8-2)31-39(43)25-18-12-6;;;;/h19,26-33H,7-18,20-25H2,1-6H3;3*1H;/p-3/b44-32+,45-33+;;;;
InChIKeyYKLLMPILGLULEO-FJMCFCOLSA-K
MW779.30 g/mol
LogP3.65
Rot. Bonds22

About N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride

N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride (PubChem CID 173243593) has the molecular formula C43H63Cl3N3V-3 and a molecular weight of 779.30 g/mol. Its IUPAC name is N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride.

Molecular Properties

Compound NameN-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride
PubChem CID173243593
Molecular FormulaC43H63Cl3N3V-3
Molecular Weight779.30 g/mol
Exact Mass777.35
IUPAC NameN-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride
SMILESCCCCc1cc(CCCC)c(/N=C/c2cccc(/C=N/c3c(CCCC)cc(CCCC)cc3CCCC)n2)c(CCCC)c1.[Cl-].[Cl-].[Cl-].[V]
InChIInChI=1S/C43H63N3.3ClH.V/c1-7-13-20-34-28-36(22-15-9-3)42(37(29-34)23-16-10-4)44-32-40-26-19-27-41(46-40)33-45-43-38(24-17-11-5)30-35(21-14-8-2)31-39(43)25-18-12-6;;;;/h19,26-33H,7-18,20-25H2,1-6H3;3*1H;/p-3/b44-32+,45-33+;;;;
InChIKeyYKLLMPILGLULEO-FJMCFCOLSA-K
XLogP3.65
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500779.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride
CID 70012064
N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride
CID 173244597
N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 70011433
1-[4-chloro-6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dibutylphenyl)methanimine;iron(2+);dichloride
CID 70011558
cobalt(3+);N-(2,6-dibutyl-4-methylphenyl)-1-[6-[(2,6-dibutyl-4-methylphenyl)iminomethyl]-4-methyl-2-pyridinyl]methanimine;trichloride
CID 70013740
N-(2,6-diethylphenyl)-1-[6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]methanimine;iron(3+);trichloride
CID 70014772
1-[4-chloro-6-[(2,6-dibutyl-4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dibutyl-4-methylphenyl)methanimine;iron(2+);dichloride
CID 70015315
1-[4-chloro-6-[(2,6-dibutyl-4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dibutyl-4-methylphenyl)methanimine;neodymium(3+);trichloride
CID 173243871
N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 70011747
1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride
CID 70014357
1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine
CID 102492718
carbanide;iron(2+);N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 22968339

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride?
The IUPAC name of N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride (CID 173243593) is N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride.
What is the SMILES notation for N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride?
The canonical SMILES for N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride is CCCCc1cc(CCCC)c(/N=C/c2cccc(/C=N/c3c(CCCC)cc(CCCC)cc3CCCC)n2)c(CCCC)c1.[Cl-].[Cl-].[Cl-].[V].
What is the InChIKey of N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride?
The InChIKey is YKLLMPILGLULEO-FJMCFCOLSA-K. The full InChI is InChI=1S/C43H63N3.3ClH.V/c1-7-13-20-34-28-36(22-15-9-3)42(37(29-34)23-16-10-4)44-32-40-26-19-27-41(46-40)33-45-43-38(24-17-11-5)30-35(21-14-8-2)31-39(43)25-18-12-6;;;;/h19,26-33H,7-18,20-25H2,1-6H3;3*1H;/p-3/b44-32+,45-33+;;;;.
What are the key properties of N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride?
N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride has a molecular weight of 779.30 g/mol, XLogP of 3.65, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride is sourced from PubChem (CID 173243593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).