methyl-(2,3,4,5,6-pentamethylphenyl)azanide;tungsten

C12H18NW3- — CID 21335576

IUPACmethyl-(2,3,4,5,6-pentamethylphenyl)azanide;tungsten
SMILESC[N-]c1c(C)c(C)c(C)c(C)c1C.[W].[W].[W]
InChIInChI=1S/C12H18N.3W/c1-7-8(2)10(4)12(13-6)11(5)9(7)3;;;/h1-6H3;;;/q-1;;;
InChIKeyVMWOTMZWNSKJAN-UHFFFAOYSA-N
MW727.80 g/mol
LogP3.86
Rot. Bonds1

About methyl-(2,3,4,5,6-pentamethylphenyl)azanide;tungsten

methyl-(2,3,4,5,6-pentamethylphenyl)azanide;tungsten (PubChem CID 21335576) has the molecular formula C12H18NW3- and a molecular weight of 727.80 g/mol. Its IUPAC name is methyl-(2,3,4,5,6-pentamethylphenyl)azanide;tungsten.

Molecular Properties

Compound Namemethyl-(2,3,4,5,6-pentamethylphenyl)azanide;tungsten
PubChem CID21335576
Molecular FormulaC12H18NW3-
Molecular Weight727.80 g/mol
Exact Mass728.00
IUPAC Namemethyl-(2,3,4,5,6-pentamethylphenyl)azanide;tungsten
SMILESC[N-]c1c(C)c(C)c(C)c(C)c1C.[W].[W].[W]
InChIInChI=1S/C12H18N.3W/c1-7-8(2)10(4)12(13-6)11(5)9(7)3;;;/h1-6H3;;;/q-1;;;
InChIKeyVMWOTMZWNSKJAN-UHFFFAOYSA-N
XLogP3.86
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500727.80
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methyl-(2,3,4,5,6-pentamethylphenyl)azanide;tungsten?
The IUPAC name of methyl-(2,3,4,5,6-pentamethylphenyl)azanide;tungsten (CID 21335576) is methyl-(2,3,4,5,6-pentamethylphenyl)azanide;tungsten.
What is the SMILES notation for methyl-(2,3,4,5,6-pentamethylphenyl)azanide;tungsten?
The canonical SMILES for methyl-(2,3,4,5,6-pentamethylphenyl)azanide;tungsten is C[N-]c1c(C)c(C)c(C)c(C)c1C.[W].[W].[W].
What is the InChIKey of methyl-(2,3,4,5,6-pentamethylphenyl)azanide;tungsten?
The InChIKey is VMWOTMZWNSKJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N.3W/c1-7-8(2)10(4)12(13-6)11(5)9(7)3;;;/h1-6H3;;;/q-1;;;.
What are the key properties of methyl-(2,3,4,5,6-pentamethylphenyl)azanide;tungsten?
methyl-(2,3,4,5,6-pentamethylphenyl)azanide;tungsten has a molecular weight of 727.80 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2,3,4,5,6-pentamethylphenyl)azanide;tungsten is sourced from PubChem (CID 21335576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).