tert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+))

C131H238N12W9 — CID 159206168

IUPACtert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+))
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1c[c-]ccc1.CC(C)(C)c1c[c-]ccn1.CC(C)(C)c1c[c-]cnc1.CC(C)(C)c1c[c-]ncc1.CC(C)(C)c1c[c-]ncn1.CC(C)(C)c1ccc[c-]n1.CC(C)(C)c1ccn[c-]n1.CC(C)(C)c1cnc[c-]n1.CC(C)(C)c1n[c-]ccn1.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[CH-]C.[W+2].[W+2].[W+2].[W+2].[W+2].[W+2].[W+2].[W+2].[W+2]
InChIInChI=1S/C10H13.4C9H12N.4C8H11N2.8C4H9.C3H7.9C2H6.9W/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;2*1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;8*1-4(2)3;1-3-2;9*1-2;;;;;;;;;/h4-5,7-8H,1-3H3;4-6H,1-3H3;2*5-7H,1-3H3;4-6H,1-3H3;2*4,6H,1-3H3;2*4-5H,1-3H3;8*1-3H3;3H,1-2H3;9*1-2H3;;;;;;;;;/q18*-1;;;;;;;;;;9*+2
InChIKeyAXJWIPCPLLLUSC-UHFFFAOYSA-N
MW3635.99 g/mol
LogP41.21
Rot. Bonds

About tert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+))

tert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+)) (PubChem CID 159206168) has the molecular formula C131H238N12W9 and a molecular weight of 3635.99 g/mol. Its IUPAC name is tert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+)).

Molecular Properties

Compound Nametert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+))
PubChem CID159206168
Molecular FormulaC131H238N12W9
Molecular Weight3635.99 g/mol
Exact Mass3635.46
IUPAC Nametert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+))
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1c[c-]ccc1.CC(C)(C)c1c[c-]ccn1.CC(C)(C)c1c[c-]cnc1.CC(C)(C)c1c[c-]ncc1.CC(C)(C)c1c[c-]ncn1.CC(C)(C)c1ccc[c-]n1.CC(C)(C)c1ccn[c-]n1.CC(C)(C)c1cnc[c-]n1.CC(C)(C)c1n[c-]ccn1.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[CH-]C.[W+2].[W+2].[W+2].[W+2].[W+2].[W+2].[W+2].[W+2].[W+2]
InChIInChI=1S/C10H13.4C9H12N.4C8H11N2.8C4H9.C3H7.9C2H6.9W/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;2*1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;8*1-4(2)3;1-3-2;9*1-2;;;;;;;;;/h4-5,7-8H,1-3H3;4-6H,1-3H3;2*5-7H,1-3H3;4-6H,1-3H3;2*4,6H,1-3H3;2*4-5H,1-3H3;8*1-3H3;3H,1-2H3;9*1-2H3;;;;;;;;;/q18*-1;;;;;;;;;;9*+2
InChIKeyAXJWIPCPLLLUSC-UHFFFAOYSA-N
XLogP41.21
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003635.99
LogP ≤ 541.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze tert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+))?
The IUPAC name of tert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+)) (CID 159206168) is tert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+)).
What is the SMILES notation for tert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+))?
The canonical SMILES for tert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+)) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1c[c-]ccc1.CC(C)(C)c1c[c-]ccn1.CC(C)(C)c1c[c-]cnc1.CC(C)(C)c1c[c-]ncc1.CC(C)(C)c1c[c-]ncn1.CC(C)(C)c1ccc[c-]n1.CC(C)(C)c1ccn[c-]n1.CC(C)(C)c1cnc[c-]n1.CC(C)(C)c1n[c-]ccn1.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[CH-]C.[W+2].[W+2].[W+2].[W+2].[W+2].[W+2].[W+2].[W+2].[W+2].
What is the InChIKey of tert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+))?
The InChIKey is AXJWIPCPLLLUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13.4C9H12N.4C8H11N2.8C4H9.C3H7.9C2H6.9W/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;2*1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;8*1-4(2)3;1-3-2;9*1-2;;;;;;;;;/h4-5,7-8H,1-3H3;4-6H,1-3H3;2*5-7H,1-3H3;4-6H,1-3H3;2*4,6H,1-3H3;2*4-5H,1-3H3;8*1-3H3;3H,1-2H3;9*1-2H3;;;;;;;;;/q18*-1;;;;;;;;;;9*+2.
What are the key properties of tert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+))?
tert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+)) has a molecular weight of 3635.99 g/mol, XLogP of 41.21, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;6-tert-butyl-2H-pyrazin-2-ide;2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;2-tert-butyl-4H-pyrimidin-4-ide;4-tert-butyl-2H-pyrimidin-2-ide;6-tert-butyl-4H-pyrimidin-4-ide;ethane;octakis(2-methylpropane);propane;nonakis(tungsten(2+)) is sourced from PubChem (CID 159206168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).