molybdenum;oxido(triphenyl)silane;bis(oxygen(2-));tetraethylazanium;sulfide

C26H35MoNO3SSi-6 — CID 139138919

IUPACmolybdenum;oxido(triphenyl)silane;bis(oxygen(2-));tetraethylazanium;sulfide
SMILESCC[N+](CC)(CC)CC.[Mo].[O-2].[O-2].[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.[S-2]
InChIInChI=1S/C18H15OSi.C8H20N.Mo.2O.S/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-9(6-2,7-3)8-4;;;;/h1-15H;5-8H2,1-4H3;;;;/q-1;+1;;3*-2
InChIKeyMXVOVCVYGJGYGE-UHFFFAOYSA-N
MW565.66 g/mol
LogP2.65
Rot. Bonds7

About molybdenum;oxido(triphenyl)silane;bis(oxygen(2-));tetraethylazanium;sulfide

molybdenum;oxido(triphenyl)silane;bis(oxygen(2-));tetraethylazanium;sulfide (PubChem CID 139138919) has the molecular formula C26H35MoNO3SSi-6 and a molecular weight of 565.66 g/mol. Its IUPAC name is molybdenum;oxido(triphenyl)silane;bis(oxygen(2-));tetraethylazanium;sulfide.

Molecular Properties

Compound Namemolybdenum;oxido(triphenyl)silane;bis(oxygen(2-));tetraethylazanium;sulfide
PubChem CID139138919
Molecular FormulaC26H35MoNO3SSi-6
Molecular Weight565.66 g/mol
Exact Mass567.12
IUPAC Namemolybdenum;oxido(triphenyl)silane;bis(oxygen(2-));tetraethylazanium;sulfide
SMILESCC[N+](CC)(CC)CC.[Mo].[O-2].[O-2].[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.[S-2]
InChIInChI=1S/C18H15OSi.C8H20N.Mo.2O.S/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-9(6-2,7-3)8-4;;;;/h1-15H;5-8H2,1-4H3;;;;/q-1;+1;;3*-2
InChIKeyMXVOVCVYGJGYGE-UHFFFAOYSA-N
XLogP2.65
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.66
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of molybdenum;oxido(triphenyl)silane;bis(oxygen(2-));tetraethylazanium;sulfide?
The IUPAC name of molybdenum;oxido(triphenyl)silane;bis(oxygen(2-));tetraethylazanium;sulfide (CID 139138919) is molybdenum;oxido(triphenyl)silane;bis(oxygen(2-));tetraethylazanium;sulfide.
What is the SMILES notation for molybdenum;oxido(triphenyl)silane;bis(oxygen(2-));tetraethylazanium;sulfide?
The canonical SMILES for molybdenum;oxido(triphenyl)silane;bis(oxygen(2-));tetraethylazanium;sulfide is CC[N+](CC)(CC)CC.[Mo].[O-2].[O-2].[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.[S-2].
What is the InChIKey of molybdenum;oxido(triphenyl)silane;bis(oxygen(2-));tetraethylazanium;sulfide?
The InChIKey is MXVOVCVYGJGYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15OSi.C8H20N.Mo.2O.S/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-9(6-2,7-3)8-4;;;;/h1-15H;5-8H2,1-4H3;;;;/q-1;+1;;3*-2.
What are the key properties of molybdenum;oxido(triphenyl)silane;bis(oxygen(2-));tetraethylazanium;sulfide?
molybdenum;oxido(triphenyl)silane;bis(oxygen(2-));tetraethylazanium;sulfide has a molecular weight of 565.66 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;oxido(triphenyl)silane;bis(oxygen(2-));tetraethylazanium;sulfide is sourced from PubChem (CID 139138919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).