2-(1,1-dihydroxy-3,3-dimethylbutan-2-yl)benzo[de]isoquinoline-1,3-dione;bis(rhodium)

C18H19NO4Rh2 — CID 134846701

IUPAC2-(1,1-dihydroxy-3,3-dimethylbutan-2-yl)benzo[de]isoquinoline-1,3-dione;bis(rhodium)
SMILESCC(C)(C)C(C(O)O)N1C(=O)c2cccc3cccc(c23)C1=O.[Rh].[Rh]
InChIInChI=1S/C18H19NO4.2Rh/c1-18(2,3)14(17(22)23)19-15(20)11-8-4-6-10-7-5-9-12(13(10)11)16(19)21;;/h4-9,14,17,22-23H,1-3H3;;
InChIKeyVTPMFWXRYGLJPU-UHFFFAOYSA-N
MW519.17 g/mol
LogP2.16
Rot. Bonds2

About 2-(1,1-dihydroxy-3,3-dimethylbutan-2-yl)benzo[de]isoquinoline-1,3-dione;bis(rhodium)

2-(1,1-dihydroxy-3,3-dimethylbutan-2-yl)benzo[de]isoquinoline-1,3-dione;bis(rhodium) (PubChem CID 134846701) has the molecular formula C18H19NO4Rh2 and a molecular weight of 519.17 g/mol. Its IUPAC name is 2-(1,1-dihydroxy-3,3-dimethylbutan-2-yl)benzo[de]isoquinoline-1,3-dione;bis(rhodium).

Molecular Properties

Compound Name2-(1,1-dihydroxy-3,3-dimethylbutan-2-yl)benzo[de]isoquinoline-1,3-dione;bis(rhodium)
PubChem CID134846701
Molecular FormulaC18H19NO4Rh2
Molecular Weight519.17 g/mol
Exact Mass518.94
IUPAC Name2-(1,1-dihydroxy-3,3-dimethylbutan-2-yl)benzo[de]isoquinoline-1,3-dione;bis(rhodium)
SMILESCC(C)(C)C(C(O)O)N1C(=O)c2cccc3cccc(c23)C1=O.[Rh].[Rh]
InChIInChI=1S/C18H19NO4.2Rh/c1-18(2,3)14(17(22)23)19-15(20)11-8-4-6-10-7-5-9-12(13(10)11)16(19)21;;/h4-9,14,17,22-23H,1-3H3;;
InChIKeyVTPMFWXRYGLJPU-UHFFFAOYSA-N
XLogP2.16
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.17
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dihydroxy-3,3-dimethylbutan-2-yl)benzo[de]isoquinoline-1,3-dione;bis(rhodium)?
The IUPAC name of 2-(1,1-dihydroxy-3,3-dimethylbutan-2-yl)benzo[de]isoquinoline-1,3-dione;bis(rhodium) (CID 134846701) is 2-(1,1-dihydroxy-3,3-dimethylbutan-2-yl)benzo[de]isoquinoline-1,3-dione;bis(rhodium).
What is the SMILES notation for 2-(1,1-dihydroxy-3,3-dimethylbutan-2-yl)benzo[de]isoquinoline-1,3-dione;bis(rhodium)?
The canonical SMILES for 2-(1,1-dihydroxy-3,3-dimethylbutan-2-yl)benzo[de]isoquinoline-1,3-dione;bis(rhodium) is CC(C)(C)C(C(O)O)N1C(=O)c2cccc3cccc(c23)C1=O.[Rh].[Rh].
What is the InChIKey of 2-(1,1-dihydroxy-3,3-dimethylbutan-2-yl)benzo[de]isoquinoline-1,3-dione;bis(rhodium)?
The InChIKey is VTPMFWXRYGLJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4.2Rh/c1-18(2,3)14(17(22)23)19-15(20)11-8-4-6-10-7-5-9-12(13(10)11)16(19)21;;/h4-9,14,17,22-23H,1-3H3;;.
What are the key properties of 2-(1,1-dihydroxy-3,3-dimethylbutan-2-yl)benzo[de]isoquinoline-1,3-dione;bis(rhodium)?
2-(1,1-dihydroxy-3,3-dimethylbutan-2-yl)benzo[de]isoquinoline-1,3-dione;bis(rhodium) has a molecular weight of 519.17 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dihydroxy-3,3-dimethylbutan-2-yl)benzo[de]isoquinoline-1,3-dione;bis(rhodium) is sourced from PubChem (CID 134846701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).