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

C24H37NO4Rh2 — CID 134939326

IUPACcarbanide;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]benzo[de]isoquinoline-1,3-dione;bis(rhodium(3+))
SMILESCC(C)(C)[C@@H](C(O)O)N1C(=O)c2cccc3cccc(c23)C1=O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rh+3].[Rh+3]
InChIInChI=1S/C18H19NO4.6CH3.2Rh/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;6*1H3;;/q;6*-1;2*+3/t14-;;;;;;;;/m1......../s1
InChIKeyKBKADEZAHVIMGZ-XNEIWNAISA-N
MW609.38 g/mol
LogP4.86
Rot. Bonds2

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

carbanide;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]benzo[de]isoquinoline-1,3-dione;bis(rhodium(3+)) (PubChem CID 134939326) has the molecular formula C24H37NO4Rh2 and a molecular weight of 609.38 g/mol. Its IUPAC name is carbanide;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]benzo[de]isoquinoline-1,3-dione;bis(rhodium(3+)).

Molecular Properties

Compound Namecarbanide;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]benzo[de]isoquinoline-1,3-dione;bis(rhodium(3+))
PubChem CID134939326
Molecular FormulaC24H37NO4Rh2
Molecular Weight609.38 g/mol
Exact Mass609.08
IUPAC Namecarbanide;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]benzo[de]isoquinoline-1,3-dione;bis(rhodium(3+))
SMILESCC(C)(C)[C@@H](C(O)O)N1C(=O)c2cccc3cccc(c23)C1=O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rh+3].[Rh+3]
InChIInChI=1S/C18H19NO4.6CH3.2Rh/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;6*1H3;;/q;6*-1;2*+3/t14-;;;;;;;;/m1......../s1
InChIKeyKBKADEZAHVIMGZ-XNEIWNAISA-N
XLogP4.86
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.38
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 carbanide;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]benzo[de]isoquinoline-1,3-dione;bis(rhodium(3+))?
The IUPAC name of carbanide;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]benzo[de]isoquinoline-1,3-dione;bis(rhodium(3+)) (CID 134939326) is carbanide;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]benzo[de]isoquinoline-1,3-dione;bis(rhodium(3+)).
What is the SMILES notation for carbanide;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]benzo[de]isoquinoline-1,3-dione;bis(rhodium(3+))?
The canonical SMILES for carbanide;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]benzo[de]isoquinoline-1,3-dione;bis(rhodium(3+)) is CC(C)(C)[C@@H](C(O)O)N1C(=O)c2cccc3cccc(c23)C1=O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rh+3].[Rh+3].
What is the InChIKey of carbanide;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]benzo[de]isoquinoline-1,3-dione;bis(rhodium(3+))?
The InChIKey is KBKADEZAHVIMGZ-XNEIWNAISA-N. The full InChI is InChI=1S/C18H19NO4.6CH3.2Rh/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;6*1H3;;/q;6*-1;2*+3/t14-;;;;;;;;/m1......../s1.
What are the key properties of carbanide;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]benzo[de]isoquinoline-1,3-dione;bis(rhodium(3+))?
carbanide;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]benzo[de]isoquinoline-1,3-dione;bis(rhodium(3+)) has a molecular weight of 609.38 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]benzo[de]isoquinoline-1,3-dione;bis(rhodium(3+)) is sourced from PubChem (CID 134939326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).