zinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene

C39H78N3RbSi6Zn — CID 139106442

IUPACzinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene
SMILESC[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.[Rb+].[Zn+2]
InChIInChI=1S/3C7H8.3C6H18NSi2.Rb.Zn/c3*1-7-5-3-2-4-6-7;3*1-8(2,3)7-9(4,5)6;;/h3*2-6H,1H3;3*1-6H3;;/q;;;3*-1;+1;+2
InChIKeyHRJLBOVEGGJKED-UHFFFAOYSA-N
MW908.45 g/mol
LogP12.08
Rot. Bonds6

About zinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene

zinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene (PubChem CID 139106442) has the molecular formula C39H78N3RbSi6Zn and a molecular weight of 908.45 g/mol. Its IUPAC name is zinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene.

Molecular Properties

Compound Namezinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene
PubChem CID139106442
Molecular FormulaC39H78N3RbSi6Zn
Molecular Weight908.45 g/mol
Exact Mass905.32
IUPAC Namezinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene
SMILESC[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.[Rb+].[Zn+2]
InChIInChI=1S/3C7H8.3C6H18NSi2.Rb.Zn/c3*1-7-5-3-2-4-6-7;3*1-8(2,3)7-9(4,5)6;;/h3*2-6H,1H3;3*1-6H3;;/q;;;3*-1;+1;+2
InChIKeyHRJLBOVEGGJKED-UHFFFAOYSA-N
XLogP12.08
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.45
LogP ≤ 512.08
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

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toluene;hydrate
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Frequently Asked Questions

What is the IUPAC name of zinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene?
The IUPAC name of zinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene (CID 139106442) is zinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene.
What is the SMILES notation for zinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene?
The canonical SMILES for zinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene is C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.[Rb+].[Zn+2].
What is the InChIKey of zinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene?
The InChIKey is HRJLBOVEGGJKED-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H8.3C6H18NSi2.Rb.Zn/c3*1-7-5-3-2-4-6-7;3*1-8(2,3)7-9(4,5)6;;/h3*2-6H,1H3;3*1-6H3;;/q;;;3*-1;+1;+2.
What are the key properties of zinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene?
zinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene has a molecular weight of 908.45 g/mol, XLogP of 12.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene is sourced from PubChem (CID 139106442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).