trialuminum;carbanide;(2,6-diethylphenyl)-[(2,6-diethylphenyl)iminomethyl]azanide;lanthanum(3+);toluene

C46H76Al3LaN2 — CID 139108362

About trialuminum;carbanide;(2,6-diethylphenyl)-[(2,6-diethylphenyl)iminomethyl]azanide;lanthanum(3+);toluene

trialuminum;carbanide;(2,6-diethylphenyl)-[(2,6-diethylphenyl)iminomethyl]azanide;lanthanum(3+);toluene (PubChem CID 139108362) has the molecular formula C46H76Al3LaN2 and a molecular weight of 876.98 g/mol. Its IUPAC name is trialuminum;carbanide;(2,6-diethylphenyl)-[(2,6-diethylphenyl)iminomethyl]azanide;lanthanum(3+);toluene.

Molecular Properties

• Compound Name: trialuminum;carbanide;(2,6-diethylphenyl)-[(2,6-diethylphenyl)iminomethyl]azanide;lanthanum(3+);toluene
• PubChem CID: 139108362
• Molecular Formula: C46H76Al3LaN2
• Molecular Weight: 876.98 g/mol
• Exact Mass: 876.45
• IUPAC Name: trialuminum;carbanide;(2,6-diethylphenyl)-[(2,6-diethylphenyl)iminomethyl]azanide;lanthanum(3+);toluene
• SMILES: CCc1cccc(CC)c1/N=C/[N-]c1c(CC)cccc1CC.Cc1ccccc1.Cc1ccccc1.[Al+3].[Al+3].[Al+3].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[La+3]
• InChI: InChI=1S/C21H27N2.2C7H8.11CH3.3Al.La/c1-5-16-11-9-12-17(6-2)20(16)22-15-23-21-18(7-3)13-10-14-19(21)8-4;2*1-7-5-3-2-4-6-7;;;;;;;;;;;;;;;/h9-15H,5-8H2,1-4H3;2*2-6H,1H3;11*1H3;;;;/q-1;;;11*-1;4*+3
• InChIKey: UKQMDURTZLHRPF-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 26.46 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	876.98
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trialuminum;carbanide;(2,6-diethylphenyl)-[(2,6-diethylphenyl)iminomethyl]azanide;lanthanum(3+);toluene?

The IUPAC name of trialuminum;carbanide;(2,6-diethylphenyl)-[(2,6-diethylphenyl)iminomethyl]azanide;lanthanum(3+);toluene (CID 139108362) is trialuminum;carbanide;(2,6-diethylphenyl)-[(2,6-diethylphenyl)iminomethyl]azanide;lanthanum(3+);toluene.

What is the SMILES notation for trialuminum;carbanide;(2,6-diethylphenyl)-[(2,6-diethylphenyl)iminomethyl]azanide;lanthanum(3+);toluene?

The canonical SMILES for trialuminum;carbanide;(2,6-diethylphenyl)-[(2,6-diethylphenyl)iminomethyl]azanide;lanthanum(3+);toluene is CCc1cccc(CC)c1/N=C/[N-]c1c(CC)cccc1CC.Cc1ccccc1.Cc1ccccc1.[Al+3].[Al+3].[Al+3].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[La+3].

What is the InChIKey of trialuminum;carbanide;(2,6-diethylphenyl)-[(2,6-diethylphenyl)iminomethyl]azanide;lanthanum(3+);toluene?

The InChIKey is UKQMDURTZLHRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N2.2C7H8.11CH3.3Al.La/c1-5-16-11-9-12-17(6-2)20(16)22-15-23-21-18(7-3)13-10-14-19(21)8-4;2*1-7-5-3-2-4-6-7;;;;;;;;;;;;;;;/h9-15H,5-8H2,1-4H3;2*2-6H,1H3;11*1H3;;;;/q-1;;;11*-1;4*+3.

What are the key properties of trialuminum;carbanide;(2,6-diethylphenyl)-[(2,6-diethylphenyl)iminomethyl]azanide;lanthanum(3+);toluene?

trialuminum;carbanide;(2,6-diethylphenyl)-[(2,6-diethylphenyl)iminomethyl]azanide;lanthanum(3+);toluene has a molecular weight of 876.98 g/mol, XLogP of 14.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trialuminum;carbanide;(2,6-diethylphenyl)-[(2,6-diethylphenyl)iminomethyl]azanide;lanthanum(3+);toluene is sourced from PubChem (CID 139108362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).