lithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane

C30H68Au2LiN9O-4 — CID 162275766

IUPAClithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane
SMILESC1CCOC1.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.[Au].[Au].[Li+]
InChIInChI=1S/2C8H19N3.C8H18N3.C4H8O.C2H4.2Au.Li/c3*1-7(2,3)9-11-10-8(4,5)6;1-2-4-5-3-1;1-2;;;/h2*11H,1-6H3;1-6H3;1-4H2;1-2H2;;;/q2*-2;-1;;;;;+1
InChIKeyXBEXBBMXQLZFGK-UHFFFAOYSA-N
MW971.81 g/mol
LogP7.42
Rot. Bonds5

About lithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane

lithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane (PubChem CID 162275766) has the molecular formula C30H68Au2LiN9O-4 and a molecular weight of 971.81 g/mol. Its IUPAC name is lithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane.

Molecular Properties

Compound Namelithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane
PubChem CID162275766
Molecular FormulaC30H68Au2LiN9O-4
Molecular Weight971.81 g/mol
Exact Mass971.51
IUPAC Namelithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane
SMILESC1CCOC1.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.[Au].[Au].[Li+]
InChIInChI=1S/2C8H19N3.C8H18N3.C4H8O.C2H4.2Au.Li/c3*1-7(2,3)9-11-10-8(4,5)6;1-2-4-5-3-1;1-2;;;/h2*11H,1-6H3;1-6H3;1-4H2;1-2H2;;;/q2*-2;-1;;;;;+1
InChIKeyXBEXBBMXQLZFGK-UHFFFAOYSA-N
XLogP7.42
TPSA128.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.81
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane?
The IUPAC name of lithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane (CID 162275766) is lithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane.
What is the SMILES notation for lithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane?
The canonical SMILES for lithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane is C1CCOC1.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.[Au].[Au].[Li+].
What is the InChIKey of lithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane?
The InChIKey is XBEXBBMXQLZFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H19N3.C8H18N3.C4H8O.C2H4.2Au.Li/c3*1-7(2,3)9-11-10-8(4,5)6;1-2-4-5-3-1;1-2;;;/h2*11H,1-6H3;1-6H3;1-4H2;1-2H2;;;/q2*-2;-1;;;;;+1.
What are the key properties of lithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane?
lithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane has a molecular weight of 971.81 g/mol, XLogP of 7.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane is sourced from PubChem (CID 162275766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).