tetrakis((2S)-2-(1,3-dioxobenzo[e]isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid);bis(rhodium)

C92H64N8O16Rh2 — CID 139247393

About tetrakis((2S)-2-(1,3-dioxobenzo[e]isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid);bis(rhodium)

tetrakis((2S)-2-(1,3-dioxobenzo[e]isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid);bis(rhodium) (PubChem CID 139247393) has the molecular formula C92H64N8O16Rh2 and a molecular weight of 1743.38 g/mol. Its IUPAC name is tetrakis((2S)-2-(1,3-dioxobenzo[e]isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid);bis(rhodium).

Molecular Properties

• Compound Name: tetrakis((2S)-2-(1,3-dioxobenzo[e]isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid);bis(rhodium)
• PubChem CID: 139247393
• Molecular Formula: C92H64N8O16Rh2
• Molecular Weight: 1743.38 g/mol
• Exact Mass: 1742.26
• IUPAC Name: tetrakis((2S)-2-(1,3-dioxobenzo[e]isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid);bis(rhodium)
• SMILES: O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccc3ccccc3c2C1=O.O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccc3ccccc3c2C1=O.O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccc3ccccc3c2C1=O.O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccc3ccccc3c2C1=O.[Rh].[Rh]
• InChI: InChI=1S/4C23H16N2O4.2Rh/c4*26-21-17-10-9-13-5-1-2-7-16(13)20(17)22(27)25(21)19(23(28)29)11-14-12-24-18-8-4-3-6-15(14)18;;/h4*1-10,12,19,24H,11H2,(H,28,29);;/t4*19-;;/m0000../s1
• InChIKey: JFELAGNSFJVFCI-WQJIEKACSA-N
• XLogP: 14.45
• TPSA: 361.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1743.38
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	8
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 tetrakis((2S)-2-(1,3-dioxobenzo[e]isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid);bis(rhodium)?

The IUPAC name of tetrakis((2S)-2-(1,3-dioxobenzo[e]isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid);bis(rhodium) (CID 139247393) is tetrakis((2S)-2-(1,3-dioxobenzo[e]isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid);bis(rhodium).

What is the SMILES notation for tetrakis((2S)-2-(1,3-dioxobenzo[e]isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid);bis(rhodium)?

The canonical SMILES for tetrakis((2S)-2-(1,3-dioxobenzo[e]isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid);bis(rhodium) is O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccc3ccccc3c2C1=O.O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccc3ccccc3c2C1=O.O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccc3ccccc3c2C1=O.O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccc3ccccc3c2C1=O.[Rh].[Rh].

What is the InChIKey of tetrakis((2S)-2-(1,3-dioxobenzo[e]isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid);bis(rhodium)?

The InChIKey is JFELAGNSFJVFCI-WQJIEKACSA-N. The full InChI is InChI=1S/4C23H16N2O4.2Rh/c4*26-21-17-10-9-13-5-1-2-7-16(13)20(17)22(27)25(21)19(23(28)29)11-14-12-24-18-8-4-3-6-15(14)18;;/h4*1-10,12,19,24H,11H2,(H,28,29);;/t4*19-;;/m0000../s1.

What are the key properties of tetrakis((2S)-2-(1,3-dioxobenzo[e]isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid);bis(rhodium)?

tetrakis((2S)-2-(1,3-dioxobenzo[e]isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid);bis(rhodium) has a molecular weight of 1743.38 g/mol, XLogP of 14.45, 16 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis((2S)-2-(1,3-dioxobenzo[e]isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid);bis(rhodium) is sourced from PubChem (CID 139247393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).