tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))

C80H64Cl16N4O16Rh2 — CID 11990349

About tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))

tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+)) (PubChem CID 11990349) has the molecular formula C80H64Cl16N4O16Rh2 and a molecular weight of 2110.46 g/mol. Its IUPAC name is tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+)).

Molecular Properties

• Compound Name: tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))
• PubChem CID: 11990349
• Molecular Formula: C80H64Cl16N4O16Rh2
• Molecular Weight: 2110.46 g/mol
• Exact Mass: 2101.74
• IUPAC Name: tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))
• SMILES: O=C([O-])[C@@H](N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.O=C([O-])[C@@H](N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.O=C([O-])[C@@H](N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.O=C([O-])[C@@H](N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.[Rh+2].[Rh+2]
• InChI: InChI=1S/4C20H17Cl4NO4.2Rh/c4*21-12-10-11(13(22)15(24)14(12)23)18(27)25(17(10)26)16(19(28)29)20-4-7-1-8(5-20)3-9(2-7)6-20;;/h4*7-9,16H,1-6H2,(H,28,29);;/q;;;;2*+2/p-4/t4*7?,8?,9?,16-,20?;;/m1111../s1
• InChIKey: JFDVMHNQOYVSDK-WONUOBKJSA-J
• XLogP: 16.92
• TPSA: 310.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2110.46
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))?

The IUPAC name of tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+)) (CID 11990349) is tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+)).

What is the SMILES notation for tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))?

The canonical SMILES for tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+)) is O=C([O-])[C@@H](N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.O=C([O-])[C@@H](N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.O=C([O-])[C@@H](N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.O=C([O-])[C@@H](N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.[Rh+2].[Rh+2].

What is the InChIKey of tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))?

The InChIKey is JFDVMHNQOYVSDK-WONUOBKJSA-J. The full InChI is InChI=1S/4C20H17Cl4NO4.2Rh/c4*21-12-10-11(13(22)15(24)14(12)23)18(27)25(17(10)26)16(19(28)29)20-4-7-1-8(5-20)3-9(2-7)6-20;;/h4*7-9,16H,1-6H2,(H,28,29);;/q;;;;2*+2/p-4/t4*7?,8?,9?,16-,20?;;/m1111../s1.

What are the key properties of tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))?

tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+)) has a molecular weight of 2110.46 g/mol, XLogP of 16.92, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+)) is sourced from PubChem (CID 11990349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).