Bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)

C₁₅₈H₂₈₂N₆O₂S₄ — CID 158648267

About Bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)

Bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene) (PubChem CID 158648267) has the molecular formula C₁₅₈H₂₈₂N₆O₂S₄ and a molecular weight of 2426.30 g/mol. Its IUPAC name is bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene).

Molecular Properties

• Compound Name: Bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)
• PubChem CID: 158648267
• Molecular Formula: C₁₅₈H₂₈₂N₆O₂S₄
• Molecular Weight: 2426.30 g/mol
• Exact Mass: 2424.10
• IUPAC Name: bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)
• SMILES: CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1cc(C(C)(C)C)n(C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)n(C(C)(C)C)c1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1
• InChI: InChI=1S/4C16H29N.2C16H28O.2C16H28S.2C15H27NS/c2*1-14(2,3)12-10-13(15(4,5)6)17(11-12)16(7,8)9;6*1-14(2,3)11-10-12(15(4,5)6)17-13(11)16(7,8)9;2*1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9/h2*10-11H,1-9H3;2*10,17H,1-9H3;4*10H,1-9H3;2*1-9H3
• InChIKey: IBFTUURZMFFAOC-UHFFFAOYSA-N
• XLogP: 51.19
• TPSA: 93.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2426.30
LogP ≤ 5	51.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of Bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)?

The IUPAC name of Bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene) (CID 158648267) is bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene).

What is the SMILES notation for Bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)?

The canonical SMILES for Bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene) is CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1cc(C(C)(C)C)n(C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)n(C(C)(C)C)c1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.

What is the InChIKey of Bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)?

The InChIKey is IBFTUURZMFFAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H29N.2C16H28O.2C16H28S.2C15H27NS/c2*1-14(2,3)12-10-13(15(4,5)6)17(11-12)16(7,8)9;6*1-14(2,3)11-10-12(15(4,5)6)17-13(11)16(7,8)9;2*1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9/h2*10-11H,1-9H3;2*10,17H,1-9H3;4*10H,1-9H3;2*1-9H3.

What are the key properties of Bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)?

Bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene) has a molecular weight of 2426.30 g/mol, XLogP of 51.19, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene) is sourced from PubChem (CID 158648267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158648267 — identifiers, structure, computed properties (public domain)

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