bis(2-tert-butylcyclopenta-1,3-diene);tris(2-tert-butylfuran);tris(3-tert-butylfuran);bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;hexakis(2-tert-butyl-1,3-oxazole);bis(4-tert-butyl-1,2-oxazole);pentakis(4-tert-butyl-1,3-oxazole);bis(5-tert-butyl-1,3-oxazole);tetrakis(2-tert-butyl-1H-pyrrole);bis(3-tert-butyl-1H-pyrrole);5-tert-butyl-3H-pyrrole

C248H392N28O21 — CID 159742078

About bis(2-tert-butylcyclopenta-1,3-diene);tris(2-tert-butylfuran);tris(3-tert-butylfuran);bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;hexakis(2-tert-butyl-1,3-oxazole);bis(4-tert-butyl-1,2-oxazole);pentakis(4-tert-butyl-1,3-oxazole);bis(5-tert-butyl-1,3-oxazole);tetrakis(2-tert-butyl-1H-pyrrole);bis(3-tert-butyl-1H-pyrrole);5-tert-butyl-3H-pyrrole

bis(2-tert-butylcyclopenta-1,3-diene);tris(2-tert-butylfuran);tris(3-tert-butylfuran);bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;hexakis(2-tert-butyl-1,3-oxazole);bis(4-tert-butyl-1,2-oxazole);pentakis(4-tert-butyl-1,3-oxazole);bis(5-tert-butyl-1,3-oxazole);tetrakis(2-tert-butyl-1H-pyrrole);bis(3-tert-butyl-1H-pyrrole);5-tert-butyl-3H-pyrrole (PubChem CID 159742078) has the molecular formula C248H392N28O21 and a molecular weight of 4102.04 g/mol. Its IUPAC name is bis(2-tert-butylcyclopenta-1,3-diene);tris(2-tert-butylfuran);tris(3-tert-butylfuran);bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;hexakis(2-tert-butyl-1,3-oxazole);bis(4-tert-butyl-1,2-oxazole);pentakis(4-tert-butyl-1,3-oxazole);bis(5-tert-butyl-1,3-oxazole);tetrakis(2-tert-butyl-1H-pyrrole);bis(3-tert-butyl-1H-pyrrole);5-tert-butyl-3H-pyrrole.

Molecular Properties

• Compound Name: bis(2-tert-butylcyclopenta-1,3-diene);tris(2-tert-butylfuran);tris(3-tert-butylfuran);bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;hexakis(2-tert-butyl-1,3-oxazole);bis(4-tert-butyl-1,2-oxazole);pentakis(4-tert-butyl-1,3-oxazole);bis(5-tert-butyl-1,3-oxazole);tetrakis(2-tert-butyl-1H-pyrrole);bis(3-tert-butyl-1H-pyrrole);5-tert-butyl-3H-pyrrole
• PubChem CID: 159742078
• Molecular Formula: C248H392N28O21
• Molecular Weight: 4102.04 g/mol
• Exact Mass: 4099.05
• IUPAC Name: bis(2-tert-butylcyclopenta-1,3-diene);tris(2-tert-butylfuran);tris(3-tert-butylfuran);bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;hexakis(2-tert-butyl-1,3-oxazole);bis(4-tert-butyl-1,2-oxazole);pentakis(4-tert-butyl-1,3-oxazole);bis(5-tert-butyl-1,3-oxazole);tetrakis(2-tert-butyl-1H-pyrrole);bis(3-tert-butyl-1H-pyrrole);5-tert-butyl-3H-pyrrole
• SMILES: CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.CC(C)(C)c1cnco1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1cocn1.CC(C)(C)c1cocn1.CC(C)(C)c1cocn1.CC(C)(C)c1cocn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1
• InChI: InChI=1S/2C9H14.7C8H13N.6C8H12O.3C7H12N2.15C7H11NO/c2*1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;5*1-8(2,3)7-5-4-6-9-7;3*1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-8-4-5-9-6;5*1-7(2,3)6-4-9-5-8-6;2*1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-4-8-9-5-6;6*1-7(2,3)6-8-4-5-9-6/h2*4,6-7H,5H2,1-3H3;2*4-6,9H,1-3H3;5-6H,4H2,1-3H3;4*4-6,9H,1-3H3;6*4-6H,1-3H3;3*4-5H,1-3H3,(H,8,9);15*4-5H,1-3H3
• InChIKey: NCOVANYKRMXSRD-UHFFFAOYSA-N
• XLogP: 72.27
• TPSA: 662.43 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Heavy Atoms: 297
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4102.04
LogP ≤ 5	72.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butylcyclopenta-1,3-diene);tris(2-tert-butylfuran);tris(3-tert-butylfuran);bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;hexakis(2-tert-butyl-1,3-oxazole);bis(4-tert-butyl-1,2-oxazole);pentakis(4-tert-butyl-1,3-oxazole);bis(5-tert-butyl-1,3-oxazole);tetrakis(2-tert-butyl-1H-pyrrole);bis(3-tert-butyl-1H-pyrrole);5-tert-butyl-3H-pyrrole?

The IUPAC name of bis(2-tert-butylcyclopenta-1,3-diene);tris(2-tert-butylfuran);tris(3-tert-butylfuran);bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;hexakis(2-tert-butyl-1,3-oxazole);bis(4-tert-butyl-1,2-oxazole);pentakis(4-tert-butyl-1,3-oxazole);bis(5-tert-butyl-1,3-oxazole);tetrakis(2-tert-butyl-1H-pyrrole);bis(3-tert-butyl-1H-pyrrole);5-tert-butyl-3H-pyrrole (CID 159742078) is bis(2-tert-butylcyclopenta-1,3-diene);tris(2-tert-butylfuran);tris(3-tert-butylfuran);bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;hexakis(2-tert-butyl-1,3-oxazole);bis(4-tert-butyl-1,2-oxazole);pentakis(4-tert-butyl-1,3-oxazole);bis(5-tert-butyl-1,3-oxazole);tetrakis(2-tert-butyl-1H-pyrrole);bis(3-tert-butyl-1H-pyrrole);5-tert-butyl-3H-pyrrole.

What is the SMILES notation for bis(2-tert-butylcyclopenta-1,3-diene);tris(2-tert-butylfuran);tris(3-tert-butylfuran);bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;hexakis(2-tert-butyl-1,3-oxazole);bis(4-tert-butyl-1,2-oxazole);pentakis(4-tert-butyl-1,3-oxazole);bis(5-tert-butyl-1,3-oxazole);tetrakis(2-tert-butyl-1H-pyrrole);bis(3-tert-butyl-1H-pyrrole);5-tert-butyl-3H-pyrrole?

The canonical SMILES for bis(2-tert-butylcyclopenta-1,3-diene);tris(2-tert-butylfuran);tris(3-tert-butylfuran);bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;hexakis(2-tert-butyl-1,3-oxazole);bis(4-tert-butyl-1,2-oxazole);pentakis(4-tert-butyl-1,3-oxazole);bis(5-tert-butyl-1,3-oxazole);tetrakis(2-tert-butyl-1H-pyrrole);bis(3-tert-butyl-1H-pyrrole);5-tert-butyl-3H-pyrrole is CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.CC(C)(C)c1cnco1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1cocn1.CC(C)(C)c1cocn1.CC(C)(C)c1cocn1.CC(C)(C)c1cocn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.

What is the InChIKey of bis(2-tert-butylcyclopenta-1,3-diene);tris(2-tert-butylfuran);tris(3-tert-butylfuran);bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;hexakis(2-tert-butyl-1,3-oxazole);bis(4-tert-butyl-1,2-oxazole);pentakis(4-tert-butyl-1,3-oxazole);bis(5-tert-butyl-1,3-oxazole);tetrakis(2-tert-butyl-1H-pyrrole);bis(3-tert-butyl-1H-pyrrole);5-tert-butyl-3H-pyrrole?

The InChIKey is NCOVANYKRMXSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14.7C8H13N.6C8H12O.3C7H12N2.15C7H11NO/c2*1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;5*1-8(2,3)7-5-4-6-9-7;3*1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-8-4-5-9-6;5*1-7(2,3)6-4-9-5-8-6;2*1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-4-8-9-5-6;6*1-7(2,3)6-8-4-5-9-6/h2*4,6-7H,5H2,1-3H3;2*4-6,9H,1-3H3;5-6H,4H2,1-3H3;4*4-6,9H,1-3H3;6*4-6H,1-3H3;3*4-5H,1-3H3,(H,8,9);15*4-5H,1-3H3.

What are the key properties of bis(2-tert-butylcyclopenta-1,3-diene);tris(2-tert-butylfuran);tris(3-tert-butylfuran);bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;hexakis(2-tert-butyl-1,3-oxazole);bis(4-tert-butyl-1,2-oxazole);pentakis(4-tert-butyl-1,3-oxazole);bis(5-tert-butyl-1,3-oxazole);tetrakis(2-tert-butyl-1H-pyrrole);bis(3-tert-butyl-1H-pyrrole);5-tert-butyl-3H-pyrrole?

bis(2-tert-butylcyclopenta-1,3-diene);tris(2-tert-butylfuran);tris(3-tert-butylfuran);bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;hexakis(2-tert-butyl-1,3-oxazole);bis(4-tert-butyl-1,2-oxazole);pentakis(4-tert-butyl-1,3-oxazole);bis(5-tert-butyl-1,3-oxazole);tetrakis(2-tert-butyl-1H-pyrrole);bis(3-tert-butyl-1H-pyrrole);5-tert-butyl-3H-pyrrole has a molecular weight of 4102.04 g/mol, XLogP of 72.27, 0 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-tert-butylcyclopenta-1,3-diene);tris(2-tert-butylfuran);tris(3-tert-butylfuran);bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;hexakis(2-tert-butyl-1,3-oxazole);bis(4-tert-butyl-1,2-oxazole);pentakis(4-tert-butyl-1,3-oxazole);bis(5-tert-butyl-1,3-oxazole);tetrakis(2-tert-butyl-1H-pyrrole);bis(3-tert-butyl-1H-pyrrole);5-tert-butyl-3H-pyrrole is sourced from PubChem (CID 159742078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).