tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)

C68H52N4O16Rh2 — CID 139247290

IUPACtetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)
SMILESO=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.O=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.O=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.O=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.[Rh].[Rh]
InChIInChI=1S/4C17H13NO4.2Rh/c4*19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11;;/h4*1-9,14H,10H2,(H,21,22);;/t4*14-;;/m1111../s1
InChIKeyIBXVPEIPNVOHCT-BYXQWDCYSA-N
MW1386.99 g/mol
LogP7.91
Rot. Bonds16

About tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)

tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium) (PubChem CID 139247290) has the molecular formula C68H52N4O16Rh2 and a molecular weight of 1386.99 g/mol. Its IUPAC name is tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium).

Molecular Properties

Compound Nametetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)
PubChem CID139247290
Molecular FormulaC68H52N4O16Rh2
Molecular Weight1386.99 g/mol
Exact Mass1386.15
IUPAC Nametetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)
SMILESO=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.O=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.O=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.O=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.[Rh].[Rh]
InChIInChI=1S/4C17H13NO4.2Rh/c4*19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11;;/h4*1-9,14H,10H2,(H,21,22);;/t4*14-;;/m1111../s1
InChIKeyIBXVPEIPNVOHCT-BYXQWDCYSA-N
XLogP7.91
TPSA298.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001386.99
LogP ≤ 57.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)?
The IUPAC name of tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium) (CID 139247290) is tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium).
What is the SMILES notation for tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)?
The canonical SMILES for tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium) is O=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.O=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.O=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.O=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.[Rh].[Rh].
What is the InChIKey of tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)?
The InChIKey is IBXVPEIPNVOHCT-BYXQWDCYSA-N. The full InChI is InChI=1S/4C17H13NO4.2Rh/c4*19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11;;/h4*1-9,14H,10H2,(H,21,22);;/t4*14-;;/m1111../s1.
What are the key properties of tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium)?
tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium) has a molecular weight of 1386.99 g/mol, XLogP of 7.91, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid);bis(rhodium) is sourced from PubChem (CID 139247290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).