2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)

C68H52N4O16Rh2 — CID 139247272

About 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)

2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium) (PubChem CID 139247272) has the molecular formula C68H52N4O16Rh2 and a molecular weight of 1386.99 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium).

Molecular Properties

• Compound Name: 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)
• PubChem CID: 139247272
• Molecular Formula: C68H52N4O16Rh2
• Molecular Weight: 1386.99 g/mol
• Exact Mass: 1386.15
• IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)
• SMILES: O=C(O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.O=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.O=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.O=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.[Rh].[Rh]
• InChI: InChI=1S/4C17H13NO4.2Rh/c4*19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11;;/h4*1-9,14H,10H2,(H,21,22);;/t3*14-;;;/m000.../s1
• InChIKey: IBXVPEIPNVOHCT-LNKMKMBNSA-N
• XLogP: 7.91
• TPSA: 298.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1386.99
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)?

The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium) (CID 139247272) is 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium).

What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)?

The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium) is O=C(O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.O=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.O=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.O=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.[Rh].[Rh].

What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)?

The InChIKey is IBXVPEIPNVOHCT-LNKMKMBNSA-N. The full InChI is InChI=1S/4C17H13NO4.2Rh/c4*19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11;;/h4*1-9,14H,10H2,(H,21,22);;/t3*14-;;;/m000.../s1.

What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)?

2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium) has a molecular weight of 1386.99 g/mol, XLogP of 7.91, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium) is sourced from PubChem (CID 139247272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).