carbanide;bis(rhodium(3+));4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione

C20H31Cl4NO4Rh2 — CID 134945335

About carbanide;bis(rhodium(3+));4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione

carbanide;bis(rhodium(3+));4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione (PubChem CID 134945335) has the molecular formula C20H31Cl4NO4Rh2 and a molecular weight of 697.09 g/mol. Its IUPAC name is carbanide;bis(rhodium(3+));4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: carbanide;bis(rhodium(3+));4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione
• PubChem CID: 134945335
• Molecular Formula: C20H31Cl4NO4Rh2
• Molecular Weight: 697.09 g/mol
• Exact Mass: 694.91
• IUPAC Name: carbanide;bis(rhodium(3+));4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione
• SMILES: CC(C)(C)[C@@H](C(O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rh+3].[Rh+3]
• InChI: InChI=1S/C14H13Cl4NO4.6CH3.2Rh/c1-14(2,3)10(13(22)23)19-11(20)4-5(12(19)21)7(16)9(18)8(17)6(4)15;;;;;;;;/h10,13,22-23H,1-3H3;6*1H3;;/q;6*-1;2*+3/t10-;;;;;;;;/m1......../s1
• InChIKey: UVNDTQBPGQUYDX-NQDLMMMNSA-N
• XLogP: 6.32
• TPSA: 77.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.09
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(rhodium(3+));4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione?

The IUPAC name of carbanide;bis(rhodium(3+));4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione (CID 134945335) is carbanide;bis(rhodium(3+));4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione.

What is the SMILES notation for carbanide;bis(rhodium(3+));4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione?

The canonical SMILES for carbanide;bis(rhodium(3+));4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione is CC(C)(C)[C@@H](C(O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rh+3].[Rh+3].

What is the InChIKey of carbanide;bis(rhodium(3+));4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione?

The InChIKey is UVNDTQBPGQUYDX-NQDLMMMNSA-N. The full InChI is InChI=1S/C14H13Cl4NO4.6CH3.2Rh/c1-14(2,3)10(13(22)23)19-11(20)4-5(12(19)21)7(16)9(18)8(17)6(4)15;;;;;;;;/h10,13,22-23H,1-3H3;6*1H3;;/q;6*-1;2*+3/t10-;;;;;;;;/m1......../s1.

What are the key properties of carbanide;bis(rhodium(3+));4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione?

carbanide;bis(rhodium(3+));4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione has a molecular weight of 697.09 g/mol, XLogP of 6.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;bis(rhodium(3+));4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 134945335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).