carbanide;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,2-dimethylpropane;2-methylpropane;tungsten(2+)

C39H80N10W — CID 159321925

About carbanide;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,2-dimethylpropane;2-methylpropane;tungsten(2+)

carbanide;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,2-dimethylpropane;2-methylpropane;tungsten(2+) (PubChem CID 159321925) has the molecular formula C39H80N10W and a molecular weight of 872.98 g/mol. Its IUPAC name is carbanide;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,2-dimethylpropane;2-methylpropane;tungsten(2+).

Molecular Properties

• Compound Name: carbanide;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,2-dimethylpropane;2-methylpropane;tungsten(2+)
• PubChem CID: 159321925
• Molecular Formula: C39H80N10W
• Molecular Weight: 872.98 g/mol
• Exact Mass: 872.61
• IUPAC Name: carbanide;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,2-dimethylpropane;2-methylpropane;tungsten(2+)
• SMILES: CC(C)(C)C.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1n[nH]c(C(C)(C)C)n1.CC(C)(C)c1nnn(C(C)(C)C)n1.C[C-](C)C.[CH3-].[W+2]
• InChI: InChI=1S/2C10H19N3.C9H18N4.C5H12.C4H9.CH3.W/c1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;1-8(2,3)7-10-12-13(11-7)9(4,5)6;1-5(2,3)4;1-4(2)3;;/h1-6H3,(H,11,12,13);7H,1-6H3;1-6H3;1-4H3;1-3H3;1H3;/q;;;;2*-1;+2
• InChIKey: LDWJXIWUDHHNCP-UHFFFAOYSA-N
• XLogP: 10.58
• TPSA: 115.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.98
LogP ≤ 5	10.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,2-dimethylpropane;2-methylpropane;tungsten(2+)?

The IUPAC name of carbanide;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,2-dimethylpropane;2-methylpropane;tungsten(2+) (CID 159321925) is carbanide;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,2-dimethylpropane;2-methylpropane;tungsten(2+).

What is the SMILES notation for carbanide;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,2-dimethylpropane;2-methylpropane;tungsten(2+)?

The canonical SMILES for carbanide;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,2-dimethylpropane;2-methylpropane;tungsten(2+) is CC(C)(C)C.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1n[nH]c(C(C)(C)C)n1.CC(C)(C)c1nnn(C(C)(C)C)n1.C[C-](C)C.[CH3-].[W+2].

What is the InChIKey of carbanide;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,2-dimethylpropane;2-methylpropane;tungsten(2+)?

The InChIKey is LDWJXIWUDHHNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N3.C9H18N4.C5H12.C4H9.CH3.W/c1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;1-8(2,3)7-10-12-13(11-7)9(4,5)6;1-5(2,3)4;1-4(2)3;;/h1-6H3,(H,11,12,13);7H,1-6H3;1-6H3;1-4H3;1-3H3;1H3;/q;;;;2*-1;+2.

What are the key properties of carbanide;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,2-dimethylpropane;2-methylpropane;tungsten(2+)?

carbanide;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,2-dimethylpropane;2-methylpropane;tungsten(2+) has a molecular weight of 872.98 g/mol, XLogP of 10.58, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,2-dimethylpropane;2-methylpropane;tungsten(2+) is sourced from PubChem (CID 159321925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).