2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate

C34H37MnN2O8 — CID 173248386

About 2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate

2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate (PubChem CID 173248386) has the molecular formula C34H37MnN2O8 and a molecular weight of 656.61 g/mol. Its IUPAC name is 2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate.

Molecular Properties

• Compound Name: 2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate
• PubChem CID: 173248386
• Molecular Formula: C34H37MnN2O8
• Molecular Weight: 656.61 g/mol
• Exact Mass: 656.19
• IUPAC Name: 2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate
• SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(C)c1ccc(O)c(-c2ccc(-c3ccc(-c4cc(C(C)C)ccc4O)cn3)nc2)c1.[Mn+3]
• InChI: InChI=1S/C28H28N2O2.3C2H4O2.Mn/c1-17(2)19-7-11-27(31)23(13-19)21-5-9-25(29-15-21)26-10-6-22(16-30-26)24-14-20(18(3)4)8-12-28(24)32;3*1-2(3)4;/h5-18,31-32H,1-4H3;3*1H3,(H,3,4);/q;;;;+3/p-3
• InChIKey: HOVUMPINVFFMSB-UHFFFAOYSA-K
• XLogP: 3.40
• TPSA: 186.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	656.61
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate?

The IUPAC name of 2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate (CID 173248386) is 2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate.

What is the SMILES notation for 2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate?

The canonical SMILES for 2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(C)c1ccc(O)c(-c2ccc(-c3ccc(-c4cc(C(C)C)ccc4O)cn3)nc2)c1.[Mn+3].

What is the InChIKey of 2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate?

The InChIKey is HOVUMPINVFFMSB-UHFFFAOYSA-K. The full InChI is InChI=1S/C28H28N2O2.3C2H4O2.Mn/c1-17(2)19-7-11-27(31)23(13-19)21-5-9-25(29-15-21)26-10-6-22(16-30-26)24-14-20(18(3)4)8-12-28(24)32;3*1-2(3)4;/h5-18,31-32H,1-4H3;3*1H3,(H,3,4);/q;;;;+3/p-3.

What are the key properties of 2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate?

2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate has a molecular weight of 656.61 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate is sourced from PubChem (CID 173248386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).