1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)

C61H99N13O2S2 — CID 159203316

About 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)

1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole) (PubChem CID 159203316) has the molecular formula C61H99N13O2S2 and a molecular weight of 1110.69 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole).

Molecular Properties

• Compound Name: 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
• PubChem CID: 159203316
• Molecular Formula: C61H99N13O2S2
• Molecular Weight: 1110.69 g/mol
• Exact Mass: 1109.75
• IUPAC Name: 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
• SMILES: Cc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C
• InChI: InChI=1S/C9H15N.4C7H12N2.2C6H9NO.2C6H9NS/c1-6-7(2)9(4)10(5)8(6)3;4*1-5-6(2)9(4)7(3)8-5;4*1-4-5(2)8-6(3)7-4/h1-5H3;4*1-4H3;4*1-3H3
• InChIKey: KPOJVNZQFDGSPF-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 154.05 Ų
• H-Bond Acceptors: 17
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1110.69
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)?

The IUPAC name of 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole) (CID 159203316) is 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole).

What is the SMILES notation for 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)?

The canonical SMILES for 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole) is Cc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.

What is the InChIKey of 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)?

The InChIKey is KPOJVNZQFDGSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.4C7H12N2.2C6H9NO.2C6H9NS/c1-6-7(2)9(4)10(5)8(6)3;4*1-5-6(2)9(4)7(3)8-5;4*1-4-5(2)8-6(3)7-4/h1-5H3;4*1-4H3;4*1-3H3.

What are the key properties of 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)?

1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole) has a molecular weight of 1110.69 g/mol, XLogP of 14.98, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole) is sourced from PubChem (CID 159203316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).