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

C127H203N9O3S7 — CID 159476811

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

bis(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);3-tert-butylfuran;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);3-tert-butylthiophene;methane (PubChem CID 159476811) has the molecular formula C127H203N9O3S7 and a molecular weight of 2128.55 g/mol. Its IUPAC name is bis(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);3-tert-butylfuran;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);3-tert-butylthiophene;methane.

Molecular Properties

• Compound Name: bis(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);3-tert-butylfuran;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);3-tert-butylthiophene;methane
• PubChem CID: 159476811
• Molecular Formula: C127H203N9O3S7
• Molecular Weight: 2128.55 g/mol
• Exact Mass: 2126.41
• IUPAC Name: bis(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);3-tert-butylfuran;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);3-tert-butylthiophene;methane
• SMILES: C.C.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1ncns1
• InChI: InChI=1S/2C9H14.3C8H13N.3C8H12O.4C8H12S.C7H12N2.2C7H11NS.C6H10N2S.2CH4/c2*1-9(2,3)8-6-4-5-7-8;3*1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;3*1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;;/h2*4,6-7H,5H2,1-3H3;5-6H,4H2,1-3H3;2*4-5H,6H2,1-3H3;7*4-6H,1-3H3;4H,5H2,1-3H3;2*4-5H,1-3H3;4H,1-3H3;2*1H4
• InChIKey: LWMFKQHIVNQBSV-UHFFFAOYSA-N
• XLogP: 41.73
• TPSA: 152.78 Ų
• H-Bond Acceptors: 19
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2128.55
LogP ≤ 5	41.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of bis(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);3-tert-butylfuran;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);3-tert-butylthiophene;methane (CID 159476811) is bis(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);3-tert-butylfuran;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);3-tert-butylthiophene;methane.

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

The canonical SMILES for bis(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);3-tert-butylfuran;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);3-tert-butylthiophene;methane is C.C.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1ncns1.

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

The InChIKey is LWMFKQHIVNQBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14.3C8H13N.3C8H12O.4C8H12S.C7H12N2.2C7H11NS.C6H10N2S.2CH4/c2*1-9(2,3)8-6-4-5-7-8;3*1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;3*1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;;/h2*4,6-7H,5H2,1-3H3;5-6H,4H2,1-3H3;2*4-5H,6H2,1-3H3;7*4-6H,1-3H3;4H,5H2,1-3H3;2*4-5H,1-3H3;4H,1-3H3;2*1H4.

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

bis(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);3-tert-butylfuran;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);3-tert-butylthiophene;methane has a molecular weight of 2128.55 g/mol, XLogP of 41.73, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);3-tert-butylfuran;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);3-tert-butylthiophene;methane is sourced from PubChem (CID 159476811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).