3-propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten

C40H45N5W10-10 — CID 158664811

IUPAC3-propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten
SMILESCC(C)c1[c-]cn[c-]c1.CC(C)c1[c-]n[c-]cc1.CC(C)c1[c-]nc[c-]c1.CC(C)c1c[c-]c[c-]n1.CC(C)c1c[c-]n[c-]c1.[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/5C8H9N.10W/c2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;;;;;;;;;;/h3,6-7H,1-2H3;3-4,7H,1-2H3;4-5,7H,1-2H3;3-4,7H,1-2H3;4-5,7H,1-2H3;;;;;;;;;;/q5*-2;;;;;;;;;;
InChIKeySSBUHVZECKUSLR-UHFFFAOYSA-N
MW2434.23 g/mol
LogP9.00
Rot. Bonds5

About 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten

3-propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten (PubChem CID 158664811) has the molecular formula C40H45N5W10-10 and a molecular weight of 2434.23 g/mol. Its IUPAC name is 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten.

Molecular Properties

Compound Name3-propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten
PubChem CID158664811
Molecular FormulaC40H45N5W10-10
Molecular Weight2434.23 g/mol
Exact Mass2434.88
IUPAC Name3-propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten
SMILESCC(C)c1[c-]cn[c-]c1.CC(C)c1[c-]n[c-]cc1.CC(C)c1[c-]nc[c-]c1.CC(C)c1c[c-]c[c-]n1.CC(C)c1c[c-]n[c-]c1.[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/5C8H9N.10W/c2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;;;;;;;;;;/h3,6-7H,1-2H3;3-4,7H,1-2H3;4-5,7H,1-2H3;3-4,7H,1-2H3;4-5,7H,1-2H3;;;;;;;;;;/q5*-2;;;;;;;;;;
InChIKeySSBUHVZECKUSLR-UHFFFAOYSA-N
XLogP9.00
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002434.23
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten?
The IUPAC name of 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten (CID 158664811) is 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten.
What is the SMILES notation for 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten?
The canonical SMILES for 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten is CC(C)c1[c-]cn[c-]c1.CC(C)c1[c-]n[c-]cc1.CC(C)c1[c-]nc[c-]c1.CC(C)c1c[c-]c[c-]n1.CC(C)c1c[c-]n[c-]c1.[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].
What is the InChIKey of 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten?
The InChIKey is SSBUHVZECKUSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/5C8H9N.10W/c2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;;;;;;;;;;/h3,6-7H,1-2H3;3-4,7H,1-2H3;4-5,7H,1-2H3;3-4,7H,1-2H3;4-5,7H,1-2H3;;;;;;;;;;/q5*-2;;;;;;;;;;.
What are the key properties of 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten?
3-propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten has a molecular weight of 2434.23 g/mol, XLogP of 9.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten is sourced from PubChem (CID 158664811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).