bis((2S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)

C52H36Cl16N4O16Rh2 — CID 139247278

About bis((2S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)

bis((2S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium) (PubChem CID 139247278) has the molecular formula C52H36Cl16N4O16Rh2 and a molecular weight of 1745.93 g/mol. Its IUPAC name is bis((2S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium).

Molecular Properties

• Compound Name: bis((2S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)
• PubChem CID: 139247278
• Molecular Formula: C52H36Cl16N4O16Rh2
• Molecular Weight: 1745.93 g/mol
• Exact Mass: 1737.53
• IUPAC Name: bis((2S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)
• SMILES: CC(C)C(C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.CC(C)C(C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.CC(C)[C@@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.CC(C)[C@@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.[Rh].[Rh]
• InChI: InChI=1S/4C13H9Cl4NO4.2Rh/c4*1-3(2)10(13(21)22)18-11(19)4-5(12(18)20)7(15)9(17)8(16)6(4)14;;/h4*3,10H,1-2H3,(H,21,22);;/t2*10-;;;;/m00..../s1
• InChIKey: IZNJAXRPLHIXFN-JTSTZFRLSA-N
• XLogP: 16.02
• TPSA: 298.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1745.93
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis((2S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)?

The IUPAC name of bis((2S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium) (CID 139247278) is bis((2S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium).

What is the SMILES notation for bis((2S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)?

The canonical SMILES for bis((2S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium) is CC(C)C(C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.CC(C)C(C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.CC(C)[C@@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.CC(C)[C@@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.[Rh].[Rh].

What is the InChIKey of bis((2S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)?

The InChIKey is IZNJAXRPLHIXFN-JTSTZFRLSA-N. The full InChI is InChI=1S/4C13H9Cl4NO4.2Rh/c4*1-3(2)10(13(21)22)18-11(19)4-5(12(18)20)7(15)9(17)8(16)6(4)14;;/h4*3,10H,1-2H3,(H,21,22);;/t2*10-;;;;/m00..../s1.

What are the key properties of bis((2S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)?

bis((2S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium) has a molecular weight of 1745.93 g/mol, XLogP of 16.02, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis((2S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium) is sourced from PubChem (CID 139247278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).