sodium;azanidylideneniobium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide)

C39H60N4NaNb-3 — CID 11714583

IUPACsodium;azanidylideneniobium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide)
SMILESCc1cc(C)cc([N-]CC(C)(C)C)c1.Cc1cc(C)cc([N-]CC(C)(C)C)c1.Cc1cc(C)cc([N-]CC(C)(C)C)c1.[N-]=[Nb].[Na+]
InChIInChI=1S/3C13H20N.N.Na.Nb/c3*1-10-6-11(2)8-12(7-10)14-9-13(3,4)5;;;/h3*6-8H,9H2,1-5H3;;;/q4*-1;+1;
InChIKeyUGJRRHHQYXVPSD-UHFFFAOYSA-N
MW700.83 g/mol
LogP10.35
Rot. Bonds6

About sodium;azanidylideneniobium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide)

sodium;azanidylideneniobium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide) (PubChem CID 11714583) has the molecular formula C39H60N4NaNb-3 and a molecular weight of 700.83 g/mol. Its IUPAC name is sodium;azanidylideneniobium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide).

Molecular Properties

Compound Namesodium;azanidylideneniobium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide)
PubChem CID11714583
Molecular FormulaC39H60N4NaNb-3
Molecular Weight700.83 g/mol
Exact Mass700.38
IUPAC Namesodium;azanidylideneniobium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide)
SMILESCc1cc(C)cc([N-]CC(C)(C)C)c1.Cc1cc(C)cc([N-]CC(C)(C)C)c1.Cc1cc(C)cc([N-]CC(C)(C)C)c1.[N-]=[Nb].[Na+]
InChIInChI=1S/3C13H20N.N.Na.Nb/c3*1-10-6-11(2)8-12(7-10)14-9-13(3,4)5;;;/h3*6-8H,9H2,1-5H3;;;/q4*-1;+1;
InChIKeyUGJRRHHQYXVPSD-UHFFFAOYSA-N
XLogP10.35
TPSA64.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.83
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of sodium;azanidylideneniobium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide)?
The IUPAC name of sodium;azanidylideneniobium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide) (CID 11714583) is sodium;azanidylideneniobium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide).
What is the SMILES notation for sodium;azanidylideneniobium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide)?
The canonical SMILES for sodium;azanidylideneniobium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide) is Cc1cc(C)cc([N-]CC(C)(C)C)c1.Cc1cc(C)cc([N-]CC(C)(C)C)c1.Cc1cc(C)cc([N-]CC(C)(C)C)c1.[N-]=[Nb].[Na+].
What is the InChIKey of sodium;azanidylideneniobium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide)?
The InChIKey is UGJRRHHQYXVPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H20N.N.Na.Nb/c3*1-10-6-11(2)8-12(7-10)14-9-13(3,4)5;;;/h3*6-8H,9H2,1-5H3;;;/q4*-1;+1;.
What are the key properties of sodium;azanidylideneniobium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide)?
sodium;azanidylideneniobium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide) has a molecular weight of 700.83 g/mol, XLogP of 10.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azanidylideneniobium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide) is sourced from PubChem (CID 11714583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).