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)

C44H20Cl16N4O16Rh2 — CID 139247275

IUPACbis(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)
SMILESCC(C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.CC(C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.C[C@@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.C[C@@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.[Rh].[Rh]
InChIInChI=1S/4C11H5Cl4NO4.2Rh/c4*1-2(11(19)20)16-9(17)3-4(10(16)18)6(13)8(15)7(14)5(3)12;;/h4*2H,1H3,(H,19,20);;/t2*2-;;;;/m00..../s1
InChIKeyPWSAODXZAFFHHB-UBMJGTQTSA-N
MW1633.72 g/mol
LogP13.47
Rot. Bonds8

About 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)

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) (PubChem CID 139247275) has the molecular formula C44H20Cl16N4O16Rh2 and a molecular weight of 1633.72 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namebis(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)
PubChem CID139247275
Molecular FormulaC44H20Cl16N4O16Rh2
Molecular Weight1633.72 g/mol
Exact Mass1625.40
IUPAC Namebis(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)
SMILESCC(C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.CC(C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.C[C@@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.C[C@@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.[Rh].[Rh]
InChIInChI=1S/4C11H5Cl4NO4.2Rh/c4*1-2(11(19)20)16-9(17)3-4(10(16)18)6(13)8(15)7(14)5(3)12;;/h4*2H,1H3,(H,19,20);;/t2*2-;;;;/m00..../s1
InChIKeyPWSAODXZAFFHHB-UBMJGTQTSA-N
XLogP13.47
TPSA298.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001633.72
LogP ≤ 513.47
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(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) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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((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
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
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
2,6-Bis(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)hexanoic acid
CID 11837719
C80H64Cl16N4O16Rh2
CID 11990349

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.CC(C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.C[C@@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.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(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)?
The InChIKey is PWSAODXZAFFHHB-UBMJGTQTSA-N. The full InChI is InChI=1S/4C11H5Cl4NO4.2Rh/c4*1-2(11(19)20)16-9(17)3-4(10(16)18)6(13)8(15)7(14)5(3)12;;/h4*2H,1H3,(H,19,20);;/t2*2-;;;;/m00..../s1.
What are the key properties of 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)?
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) has a molecular weight of 1633.72 g/mol, XLogP of 13.47, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 139247275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).