tris(diethylazanide);tetraphenylboranuide;uranium(4+)

C36H50BN3U — CID 51003859

IUPACtris(diethylazanide);tetraphenylboranuide;uranium(4+)
SMILESCC[N-]CC.CC[N-]CC.CC[N-]CC.[U+4].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.3C4H10N.U/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;3*1-3-5-4-2;/h1-20H;3*3-4H2,1-2H3;/q4*-1;+4
InChIKeyNDEQYNLQWGZAFD-UHFFFAOYSA-N
MW773.66 g/mol
LogP7.26
Rot. Bonds10

About tris(diethylazanide);tetraphenylboranuide;uranium(4+)

tris(diethylazanide);tetraphenylboranuide;uranium(4+) (PubChem CID 51003859) has the molecular formula C36H50BN3U and a molecular weight of 773.66 g/mol. Its IUPAC name is tris(diethylazanide);tetraphenylboranuide;uranium(4+).

Molecular Properties

Compound Nametris(diethylazanide);tetraphenylboranuide;uranium(4+)
PubChem CID51003859
Molecular FormulaC36H50BN3U
Molecular Weight773.66 g/mol
Exact Mass773.46
IUPAC Nametris(diethylazanide);tetraphenylboranuide;uranium(4+)
SMILESCC[N-]CC.CC[N-]CC.CC[N-]CC.[U+4].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.3C4H10N.U/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;3*1-3-5-4-2;/h1-20H;3*3-4H2,1-2H3;/q4*-1;+4
InChIKeyNDEQYNLQWGZAFD-UHFFFAOYSA-N
XLogP7.26
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.66
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Methanaminium, N,N,N-trimethyl-, (T-4)-butyltriphenylborate(1-) (1:1)
CID 21924669
Tetrabutylammonium tetraphenylborate
CID 3084234
Tetraheptylammonium tetraphenylborate
CID 10010161
Tetrapentylammonium tetrakis(4-fluorophenyl)borate
CID 16211384
Tetrabutylammonium butyltriphenylborate
CID 21943771
Tetramethylammonium tetraphenylborate
CID 11079735
Tetraphenylboranuide;triethylazanium
CID 11080326
Triethylamine,2'-bis(diphenylphosphino)-
CID 273267
1,2-Bis(diethylamino)-1,1,2,2-tetraphenyldisilane
CID 11249208
Tetraethylammonium tetraphenylborate
CID 13783124
Tetrapropylammonium tetraphenylborate
CID 13783125
Tetrapentylammonium tetraphe-nylborate
CID 13783126

Frequently Asked Questions

What is the IUPAC name of tris(diethylazanide);tetraphenylboranuide;uranium(4+)?
The IUPAC name of tris(diethylazanide);tetraphenylboranuide;uranium(4+) (CID 51003859) is tris(diethylazanide);tetraphenylboranuide;uranium(4+).
What is the SMILES notation for tris(diethylazanide);tetraphenylboranuide;uranium(4+)?
The canonical SMILES for tris(diethylazanide);tetraphenylboranuide;uranium(4+) is CC[N-]CC.CC[N-]CC.CC[N-]CC.[U+4].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tris(diethylazanide);tetraphenylboranuide;uranium(4+)?
The InChIKey is NDEQYNLQWGZAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.3C4H10N.U/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;3*1-3-5-4-2;/h1-20H;3*3-4H2,1-2H3;/q4*-1;+4.
What are the key properties of tris(diethylazanide);tetraphenylboranuide;uranium(4+)?
tris(diethylazanide);tetraphenylboranuide;uranium(4+) has a molecular weight of 773.66 g/mol, XLogP of 7.26, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(diethylazanide);tetraphenylboranuide;uranium(4+) is sourced from PubChem (CID 51003859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).