bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(2-tert-butylthiophene);methane

C106H183N9OS8 — CID 158946260

About bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(2-tert-butylthiophene);methane

bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(2-tert-butylthiophene);methane (PubChem CID 158946260) has the molecular formula C106H183N9OS8 and a molecular weight of 1856.23 g/mol. Its IUPAC name is bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(2-tert-butylthiophene);methane.

Molecular Properties

• Compound Name: bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(2-tert-butylthiophene);methane
• PubChem CID: 158946260
• Molecular Formula: C106H183N9OS8
• Molecular Weight: 1856.23 g/mol
• Exact Mass: 1854.23
• IUPAC Name: bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(2-tert-butylthiophene);methane
• SMILES: C.C.C.C.C.C.C.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1ccsn1.CC(C)(C)c1cncs1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1ncsn1
• InChI: InChI=1S/2C9H14.2C8H13N.C8H12O.2C8H12S.5C7H11NS.C6H10N2S.7CH4/c2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-6-7;4*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;3*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-7-4-9-8-5;;;;;;;/h2*4,6-7H,5H2,1-3H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;3*4-6H,1-3H3;5*4-5H,1-3H3;4H,1-3H3;7*1H4
• InChIKey: JKWAHZZANQEFPP-UHFFFAOYSA-N
• XLogP: 37.43
• TPSA: 128.09 Ų
• H-Bond Acceptors: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1856.23
LogP ≤ 5	37.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(2-tert-butylthiophene);methane?

The IUPAC name of bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(2-tert-butylthiophene);methane (CID 158946260) is bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(2-tert-butylthiophene);methane.

What is the SMILES notation for bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(2-tert-butylthiophene);methane?

The canonical SMILES for bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(2-tert-butylthiophene);methane is C.C.C.C.C.C.C.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1ccsn1.CC(C)(C)c1cncs1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1ncsn1.

What is the InChIKey of bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(2-tert-butylthiophene);methane?

The InChIKey is JKWAHZZANQEFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14.2C8H13N.C8H12O.2C8H12S.5C7H11NS.C6H10N2S.7CH4/c2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-6-7;4*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;3*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-7-4-9-8-5;;;;;;;/h2*4,6-7H,5H2,1-3H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;3*4-6H,1-3H3;5*4-5H,1-3H3;4H,1-3H3;7*1H4.

What are the key properties of bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(2-tert-butylthiophene);methane?

bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(2-tert-butylthiophene);methane has a molecular weight of 1856.23 g/mol, XLogP of 37.43, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(2-tert-butylthiophene);methane is sourced from PubChem (CID 158946260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).