tetrakis((2R)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))

C72H64N4O16Rh2 — CID 172907659

About tetrakis((2R)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))

tetrakis((2R)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+)) (PubChem CID 172907659) has the molecular formula C72H64N4O16Rh2 and a molecular weight of 1447.13 g/mol. Its IUPAC name is tetrakis((2R)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+)).

Molecular Properties

• Compound Name: tetrakis((2R)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))
• PubChem CID: 172907659
• Molecular Formula: C72H64N4O16Rh2
• Molecular Weight: 1447.13 g/mol
• Exact Mass: 1446.24
• IUPAC Name: tetrakis((2R)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))
• SMILES: CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2cccc3cccc(c23)C1=O.CC(C)(C)[C@H](C(=O)[O-])N1C(=O)c2cccc3cccc(c23)C1=O.CC(C)(C)[C@H](C(=O)[O-])N1C(=O)c2cccc3cccc(c23)C1=O.CC(C)(C)[C@H](C(=O)[O-])N1C(=O)c2cccc3cccc(c23)C1=O.[Rh+2].[Rh+2]
• InChI: InChI=1S/4C18H17NO4.2Rh/c4*1-18(2,3)14(17(22)23)19-15(20)11-8-4-6-10-7-5-9-12(13(10)11)16(19)21;;/h4*4-9,14H,1-3H3,(H,22,23);;/q;;;;2*+2/p-4/t4*14-;;/m1000../s1
• InChIKey: AXSCZKAJIQMFGF-AYFVETMLSA-J
• XLogP: 6.40
• TPSA: 310.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1447.13
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis((2R)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))?

The IUPAC name of tetrakis((2R)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+)) (CID 172907659) is tetrakis((2R)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+)).

What is the SMILES notation for tetrakis((2R)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))?

The canonical SMILES for tetrakis((2R)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+)) is CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2cccc3cccc(c23)C1=O.CC(C)(C)[C@H](C(=O)[O-])N1C(=O)c2cccc3cccc(c23)C1=O.CC(C)(C)[C@H](C(=O)[O-])N1C(=O)c2cccc3cccc(c23)C1=O.CC(C)(C)[C@H](C(=O)[O-])N1C(=O)c2cccc3cccc(c23)C1=O.[Rh+2].[Rh+2].

What is the InChIKey of tetrakis((2R)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))?

The InChIKey is AXSCZKAJIQMFGF-AYFVETMLSA-J. The full InChI is InChI=1S/4C18H17NO4.2Rh/c4*1-18(2,3)14(17(22)23)19-15(20)11-8-4-6-10-7-5-9-12(13(10)11)16(19)21;;/h4*4-9,14H,1-3H3,(H,22,23);;/q;;;;2*+2/p-4/t4*14-;;/m1000../s1.

What are the key properties of tetrakis((2R)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))?

tetrakis((2R)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+)) has a molecular weight of 1447.13 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis((2R)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+)) is sourced from PubChem (CID 172907659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).