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

C54H44Cl12N4O16Rh2 — CID 139247312

IUPACbis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);(2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid;2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid;bis(rhodium)
SMILESCC(C)(C(=O)O)N1C(=O)c2ccccc2C1=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]
InChIInChI=1S/3C14H11Cl4NO4.C12H11NO4.2Rh/c3*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;1-12(2,11(16)17)13-9(14)7-5-3-4-6-8(7)10(13)15;;/h3*10H,1-3H3,(H,22,23);3-6H,1-2H3,(H,16,17);;/t3*10-;;;/m110.../s1
InChIKeyYZEVVWPXIJRNLV-SAIQBOMISA-N
MW1636.21 g/mol
LogP14.33
Rot. Bonds8

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

bis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);(2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid;2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid;bis(rhodium) (PubChem CID 139247312) has the molecular formula C54H44Cl12N4O16Rh2 and a molecular weight of 1636.21 g/mol. Its IUPAC name is bis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);(2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid;2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid;bis(rhodium).

Molecular Properties

Compound Namebis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);(2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid;2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid;bis(rhodium)
PubChem CID139247312
Molecular FormulaC54H44Cl12N4O16Rh2
Molecular Weight1636.21 g/mol
Exact Mass1629.71
IUPAC Namebis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);(2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid;2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid;bis(rhodium)
SMILESCC(C)(C(=O)O)N1C(=O)c2ccccc2C1=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]
InChIInChI=1S/3C14H11Cl4NO4.C12H11NO4.2Rh/c3*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;1-12(2,11(16)17)13-9(14)7-5-3-4-6-8(7)10(13)15;;/h3*10H,1-3H3,(H,22,23);3-6H,1-2H3,(H,16,17);;/t3*10-;;;/m110.../s1
InChIKeyYZEVVWPXIJRNLV-SAIQBOMISA-N
XLogP14.33
TPSA298.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001636.21
LogP ≤ 514.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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'}

Analyze bis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);(2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid;2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid;bis(rhodium) with MolForge

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Related Compounds

dirhodium (ii) tetrakis[N-tetrachlorophthaloyl-(s)-t-leucinate]
CID 11159266
Rh2((s)-tcpttl)4
CID 137240373
tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetic acid);bis(rhodium)
CID 139247271
tris((2S)-3-phenyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoic acid);3-phenyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoic acid;bis(rhodium)
CID 139247273
bis(rhodium);bis((2S)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoic acid);bis(2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoic acid)
CID 139247275
bis((2S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)
CID 139247278
tris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium)
CID 139247281
tetrakis((2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)
CID 139247293
oxidanium;tris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoate);2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoate;ethanol;bis(rhodium(2+))
CID 168345108
Tetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))
CID 73170795
(4R)-4-(hydroxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;4,5,6,7-tetrachloroisoindole-1,3-dione;4,5,6,7-tetrachloro-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methyl]isoindole-1,3-dione
CID 157958215
C80H64Cl16N4O16Rh2
CID 11990349

Frequently Asked Questions

What is the IUPAC name of bis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);(2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid;2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid;bis(rhodium)?
The IUPAC name of bis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);(2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid;2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid;bis(rhodium) (CID 139247312) is bis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);(2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid;2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid;bis(rhodium).
What is the SMILES notation for bis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);(2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid;2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid;bis(rhodium)?
The canonical SMILES for bis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);(2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid;2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid;bis(rhodium) is CC(C)(C(=O)O)N1C(=O)c2ccccc2C1=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 bis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);(2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid;2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid;bis(rhodium)?
The InChIKey is YZEVVWPXIJRNLV-SAIQBOMISA-N. The full InChI is InChI=1S/3C14H11Cl4NO4.C12H11NO4.2Rh/c3*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;1-12(2,11(16)17)13-9(14)7-5-3-4-6-8(7)10(13)15;;/h3*10H,1-3H3,(H,22,23);3-6H,1-2H3,(H,16,17);;/t3*10-;;;/m110.../s1.
What are the key properties of bis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);(2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid;2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid;bis(rhodium)?
bis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);(2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid;2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid;bis(rhodium) has a molecular weight of 1636.21 g/mol, XLogP of 14.33, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid);(2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid;2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid;bis(rhodium) is sourced from PubChem (CID 139247312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).