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

C39H60N3NaNbP-2 — CID 11491031

IUPACsodium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide);phosphanylidyneniobium
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.P#[Nb].[Na+]
InChIInChI=1S/3C13H20N.Na.Nb.P/c3*1-10-6-11(2)8-12(7-10)14-9-13(3,4)5;;;/h3*6-8H,9H2,1-5H3;;;/q3*-1;+1;;
InChIKeyKNBWNMPNTDUBCD-UHFFFAOYSA-N
MW717.80 g/mol
LogP10.93
Rot. Bonds6

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

sodium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide);phosphanylidyneniobium (PubChem CID 11491031) has the molecular formula C39H60N3NaNbP-2 and a molecular weight of 717.80 g/mol. Its IUPAC name is sodium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide);phosphanylidyneniobium.

Molecular Properties

Compound Namesodium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide);phosphanylidyneniobium
PubChem CID11491031
Molecular FormulaC39H60N3NaNbP-2
Molecular Weight717.80 g/mol
Exact Mass717.35
IUPAC Namesodium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide);phosphanylidyneniobium
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.P#[Nb].[Na+]
InChIInChI=1S/3C13H20N.Na.Nb.P/c3*1-10-6-11(2)8-12(7-10)14-9-13(3,4)5;;;/h3*6-8H,9H2,1-5H3;;;/q3*-1;+1;;
InChIKeyKNBWNMPNTDUBCD-UHFFFAOYSA-N
XLogP10.93
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.80
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide);phosphanylidyneniobium?
The IUPAC name of sodium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide);phosphanylidyneniobium (CID 11491031) is sodium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide);phosphanylidyneniobium.
What is the SMILES notation for sodium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide);phosphanylidyneniobium?
The canonical SMILES for sodium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide);phosphanylidyneniobium 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.P#[Nb].[Na+].
What is the InChIKey of sodium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide);phosphanylidyneniobium?
The InChIKey is KNBWNMPNTDUBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H20N.Na.Nb.P/c3*1-10-6-11(2)8-12(7-10)14-9-13(3,4)5;;;/h3*6-8H,9H2,1-5H3;;;/q3*-1;+1;;.
What are the key properties of sodium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide);phosphanylidyneniobium?
sodium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide);phosphanylidyneniobium has a molecular weight of 717.80 g/mol, XLogP of 10.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tris((3,5-dimethylphenyl)-(2,2-dimethylpropyl)azanide);phosphanylidyneniobium is sourced from PubChem (CID 11491031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).