bis(tert-butyl(2-tert-butylazanidylethenyl)azanide);ethane;hexakis(methanidyl(trimethyl)silane);bis(2-methylbutan-2-yl-[2-(2-methylbutan-2-ylazanidyl)ethenyl]azanide);bis(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide);propyliminotungsten

C114H258N18Si6W6-24 — CID 158806282

IUPACbis(tert-butyl(2-tert-butylazanidylethenyl)azanide);ethane;hexakis(methanidyl(trimethyl)silane);bis(2-methylbutan-2-yl-[2-(2-methylbutan-2-ylazanidyl)ethenyl]azanide);bis(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide);propyliminotungsten
SMILESCC(C)(C)[N-]C=C[N-]C(C)(C)C.CC(C)(C)[N-]C=C[N-]C(C)(C)C.CC(C)[N-]C=C[N-]C(C)C.CC(C)[N-]C=C[N-]C(C)C.CCC(C)(C)[N-]C=C[N-]C(C)(C)CC.CCC(C)(C)[N-]C=C[N-]C(C)(C)CC.CCCN=[W].CCCN=[W].CCCN=[W].CCCN=[W].CCCN=[W].CCCN=[W].[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C
InChIInChI=1S/2C12H24N2.2C10H20N2.2C8H16N2.6C4H11Si.6C3H7N.6C2H5.6W/c2*1-7-11(3,4)13-9-10-14-12(5,6)8-2;2*1-9(2,3)11-7-8-12-10(4,5)6;2*1-7(2)9-5-6-10-8(3)4;6*1-5(2,3)4;6*1-2-3-4;6*1-2;;;;;;/h2*9-10H,7-8H2,1-6H3;2*7-8H,1-6H3;2*5-8H,1-4H3;6*1H2,2-4H3;6*2-3H2,1H3;6*1H2,2H3;;;;;;/q6*-2;6*-1;;;;;;;6*-1;;;;;;
InChIKeySVQVZRCGGFMBQO-UHFFFAOYSA-N
MW3153.00 g/mol
LogP44.80
Rot. Bonds36

About bis(tert-butyl(2-tert-butylazanidylethenyl)azanide);ethane;hexakis(methanidyl(trimethyl)silane);bis(2-methylbutan-2-yl-[2-(2-methylbutan-2-ylazanidyl)ethenyl]azanide);bis(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide);propyliminotungsten

bis(tert-butyl(2-tert-butylazanidylethenyl)azanide);ethane;hexakis(methanidyl(trimethyl)silane);bis(2-methylbutan-2-yl-[2-(2-methylbutan-2-ylazanidyl)ethenyl]azanide);bis(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide);propyliminotungsten (PubChem CID 158806282) has the molecular formula C114H258N18Si6W6-24 and a molecular weight of 3153.00 g/mol. Its IUPAC name is bis(tert-butyl(2-tert-butylazanidylethenyl)azanide);ethane;hexakis(methanidyl(trimethyl)silane);bis(2-methylbutan-2-yl-[2-(2-methylbutan-2-ylazanidyl)ethenyl]azanide);bis(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide);propyliminotungsten.

Molecular Properties

Compound Namebis(tert-butyl(2-tert-butylazanidylethenyl)azanide);ethane;hexakis(methanidyl(trimethyl)silane);bis(2-methylbutan-2-yl-[2-(2-methylbutan-2-ylazanidyl)ethenyl]azanide);bis(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide);propyliminotungsten
PubChem CID158806282
Molecular FormulaC114H258N18Si6W6-24
Molecular Weight3153.00 g/mol
Exact Mass3151.65
IUPAC Namebis(tert-butyl(2-tert-butylazanidylethenyl)azanide);ethane;hexakis(methanidyl(trimethyl)silane);bis(2-methylbutan-2-yl-[2-(2-methylbutan-2-ylazanidyl)ethenyl]azanide);bis(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide);propyliminotungsten
SMILESCC(C)(C)[N-]C=C[N-]C(C)(C)C.CC(C)(C)[N-]C=C[N-]C(C)(C)C.CC(C)[N-]C=C[N-]C(C)C.CC(C)[N-]C=C[N-]C(C)C.CCC(C)(C)[N-]C=C[N-]C(C)(C)CC.CCC(C)(C)[N-]C=C[N-]C(C)(C)CC.CCCN=[W].CCCN=[W].CCCN=[W].CCCN=[W].CCCN=[W].CCCN=[W].[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C
InChIInChI=1S/2C12H24N2.2C10H20N2.2C8H16N2.6C4H11Si.6C3H7N.6C2H5.6W/c2*1-7-11(3,4)13-9-10-14-12(5,6)8-2;2*1-9(2,3)11-7-8-12-10(4,5)6;2*1-7(2)9-5-6-10-8(3)4;6*1-5(2,3)4;6*1-2-3-4;6*1-2;;;;;;/h2*9-10H,7-8H2,1-6H3;2*7-8H,1-6H3;2*5-8H,1-4H3;6*1H2,2-4H3;6*2-3H2,1H3;6*1H2,2H3;;;;;;/q6*-2;6*-1;;;;;;;6*-1;;;;;;
InChIKeySVQVZRCGGFMBQO-UHFFFAOYSA-N
XLogP44.80
TPSA243.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds36
Heavy Atoms144
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003153.00
LogP ≤ 544.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl(2-tert-butylazanidylethenyl)azanide);ethane;hexakis(methanidyl(trimethyl)silane);bis(2-methylbutan-2-yl-[2-(2-methylbutan-2-ylazanidyl)ethenyl]azanide);bis(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide);propyliminotungsten?
The IUPAC name of bis(tert-butyl(2-tert-butylazanidylethenyl)azanide);ethane;hexakis(methanidyl(trimethyl)silane);bis(2-methylbutan-2-yl-[2-(2-methylbutan-2-ylazanidyl)ethenyl]azanide);bis(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide);propyliminotungsten (CID 158806282) is bis(tert-butyl(2-tert-butylazanidylethenyl)azanide);ethane;hexakis(methanidyl(trimethyl)silane);bis(2-methylbutan-2-yl-[2-(2-methylbutan-2-ylazanidyl)ethenyl]azanide);bis(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide);propyliminotungsten.
What is the SMILES notation for bis(tert-butyl(2-tert-butylazanidylethenyl)azanide);ethane;hexakis(methanidyl(trimethyl)silane);bis(2-methylbutan-2-yl-[2-(2-methylbutan-2-ylazanidyl)ethenyl]azanide);bis(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide);propyliminotungsten?
The canonical SMILES for bis(tert-butyl(2-tert-butylazanidylethenyl)azanide);ethane;hexakis(methanidyl(trimethyl)silane);bis(2-methylbutan-2-yl-[2-(2-methylbutan-2-ylazanidyl)ethenyl]azanide);bis(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide);propyliminotungsten is CC(C)(C)[N-]C=C[N-]C(C)(C)C.CC(C)(C)[N-]C=C[N-]C(C)(C)C.CC(C)[N-]C=C[N-]C(C)C.CC(C)[N-]C=C[N-]C(C)C.CCC(C)(C)[N-]C=C[N-]C(C)(C)CC.CCC(C)(C)[N-]C=C[N-]C(C)(C)CC.CCCN=[W].CCCN=[W].CCCN=[W].CCCN=[W].CCCN=[W].CCCN=[W].[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.
What is the InChIKey of bis(tert-butyl(2-tert-butylazanidylethenyl)azanide);ethane;hexakis(methanidyl(trimethyl)silane);bis(2-methylbutan-2-yl-[2-(2-methylbutan-2-ylazanidyl)ethenyl]azanide);bis(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide);propyliminotungsten?
The InChIKey is SVQVZRCGGFMBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H24N2.2C10H20N2.2C8H16N2.6C4H11Si.6C3H7N.6C2H5.6W/c2*1-7-11(3,4)13-9-10-14-12(5,6)8-2;2*1-9(2,3)11-7-8-12-10(4,5)6;2*1-7(2)9-5-6-10-8(3)4;6*1-5(2,3)4;6*1-2-3-4;6*1-2;;;;;;/h2*9-10H,7-8H2,1-6H3;2*7-8H,1-6H3;2*5-8H,1-4H3;6*1H2,2-4H3;6*2-3H2,1H3;6*1H2,2H3;;;;;;/q6*-2;6*-1;;;;;;;6*-1;;;;;;.
What are the key properties of bis(tert-butyl(2-tert-butylazanidylethenyl)azanide);ethane;hexakis(methanidyl(trimethyl)silane);bis(2-methylbutan-2-yl-[2-(2-methylbutan-2-ylazanidyl)ethenyl]azanide);bis(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide);propyliminotungsten?
bis(tert-butyl(2-tert-butylazanidylethenyl)azanide);ethane;hexakis(methanidyl(trimethyl)silane);bis(2-methylbutan-2-yl-[2-(2-methylbutan-2-ylazanidyl)ethenyl]azanide);bis(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide);propyliminotungsten has a molecular weight of 3153.00 g/mol, XLogP of 44.80, 36 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl(2-tert-butylazanidylethenyl)azanide);ethane;hexakis(methanidyl(trimethyl)silane);bis(2-methylbutan-2-yl-[2-(2-methylbutan-2-ylazanidyl)ethenyl]azanide);bis(propan-2-yl(2-propan-2-ylazanidylethenyl)azanide);propyliminotungsten is sourced from PubChem (CID 158806282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).