tetrakis((2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)

C56H44Cl16N4O16Rh2 — CID 139247293

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

tetrakis((2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium) (PubChem CID 139247293) has the molecular formula C56H44Cl16N4O16Rh2 and a molecular weight of 1802.04 g/mol. Its IUPAC name is tetrakis((2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium).

Molecular Properties

• Compound Name: tetrakis((2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)
• PubChem CID: 139247293
• Molecular Formula: C56H44Cl16N4O16Rh2
• Molecular Weight: 1802.04 g/mol
• Exact Mass: 1793.59
• IUPAC Name: tetrakis((2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)
• SMILES: CC(C)(C)[C@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.CC(C)(C)[C@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.CC(C)(C)[C@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.CC(C)(C)[C@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.[Rh].[Rh]
• InChI: InChI=1S/4C14H11Cl4NO4.2Rh/c4*1-14(2,3)10(13(22)23)19-11(20)4-5(12(19)21)7(16)9(18)8(17)6(4)15;;/h4*10H,1-3H3,(H,22,23);;/t4*10-;;/m0000../s1
• InChIKey: FGDQABJDBWLBLB-HXNMTVKDSA-N
• XLogP: 17.58
• TPSA: 298.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1802.04
LogP ≤ 5	17.58
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 tetrakis((2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)?

The IUPAC name of tetrakis((2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium) (CID 139247293) is tetrakis((2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium).

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

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

The InChIKey is FGDQABJDBWLBLB-HXNMTVKDSA-N. The full InChI is InChI=1S/4C14H11Cl4NO4.2Rh/c4*1-14(2,3)10(13(22)23)19-11(20)4-5(12(19)21)7(16)9(18)8(17)6(4)15;;/h4*10H,1-3H3,(H,22,23);;/t4*10-;;/m0000../s1.

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

tetrakis((2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium) has a molecular weight of 1802.04 g/mol, XLogP of 17.58, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis((2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium) is sourced from PubChem (CID 139247293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).