tris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+)

C32H73LaN12 — CID 161056573

IUPACtris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+)
SMILESCC(C)(C)/N=N/NC(C)(C)C.CC(C)(C)/N=N/[N-]C(C)(C)C.CC(C)(C)/N=N/[N-]C(C)(C)C.CC(C)(C)/N=N/[N-]C(C)(C)C.[La+3]
InChIInChI=1S/C8H19N3.3C8H18N3.La/c4*1-7(2,3)9-11-10-8(4,5)6;/h1-6H3,(H,9,10);3*1-6H3;/q;3*-1;+3
InChIKeyUCVIVTDSMMRBCH-UHFFFAOYSA-N
MW764.93 g/mol
LogP12.51
Rot. Bonds4

About tris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+)

tris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+) (PubChem CID 161056573) has the molecular formula C32H73LaN12 and a molecular weight of 764.93 g/mol. Its IUPAC name is tris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+).

Molecular Properties

Compound Nametris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+)
PubChem CID161056573
Molecular FormulaC32H73LaN12
Molecular Weight764.93 g/mol
Exact Mass764.51
IUPAC Nametris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+)
SMILESCC(C)(C)/N=N/NC(C)(C)C.CC(C)(C)/N=N/[N-]C(C)(C)C.CC(C)(C)/N=N/[N-]C(C)(C)C.CC(C)(C)/N=N/[N-]C(C)(C)C.[La+3]
InChIInChI=1S/C8H19N3.3C8H18N3.La/c4*1-7(2,3)9-11-10-8(4,5)6;/h1-6H3,(H,9,10);3*1-6H3;/q;3*-1;+3
InChIKeyUCVIVTDSMMRBCH-UHFFFAOYSA-N
XLogP12.51
TPSA153.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 512.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+)?
The IUPAC name of tris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+) (CID 161056573) is tris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+).
What is the SMILES notation for tris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+)?
The canonical SMILES for tris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+) is CC(C)(C)/N=N/NC(C)(C)C.CC(C)(C)/N=N/[N-]C(C)(C)C.CC(C)(C)/N=N/[N-]C(C)(C)C.CC(C)(C)/N=N/[N-]C(C)(C)C.[La+3].
What is the InChIKey of tris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+)?
The InChIKey is UCVIVTDSMMRBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3.3C8H18N3.La/c4*1-7(2,3)9-11-10-8(4,5)6;/h1-6H3,(H,9,10);3*1-6H3;/q;3*-1;+3.
What are the key properties of tris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+)?
tris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+) has a molecular weight of 764.93 g/mol, XLogP of 12.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+) is sourced from PubChem (CID 161056573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).