[3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium

C33H25NO2P+ — CID 59031839

IUPAC[3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium
SMILESCc1ccc2c(c1)C(=O)N(c1cccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c1)C2=O
InChIInChI=1S/C33H25NO2P/c1-24-20-21-30-31(22-24)33(36)34(32(30)35)25-12-11-19-29(23-25)37(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-23H,1H3/q+1
InChIKeyQBGMXHVPWGEQJE-UHFFFAOYSA-N
MW498.54 g/mol
LogP5.42
Rot. Bonds5

About [3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium

[3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium (PubChem CID 59031839) has the molecular formula C33H25NO2P+ and a molecular weight of 498.54 g/mol. Its IUPAC name is [3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium
PubChem CID59031839
Molecular FormulaC33H25NO2P+
Molecular Weight498.54 g/mol
Exact Mass498.16
IUPAC Name[3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium
SMILESCc1ccc2c(c1)C(=O)N(c1cccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c1)C2=O
InChIInChI=1S/C33H25NO2P/c1-24-20-21-30-31(22-24)33(36)34(32(30)35)25-12-11-19-29(23-25)37(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-23H,1H3/q+1
InChIKeyQBGMXHVPWGEQJE-UHFFFAOYSA-N
XLogP5.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.54
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[5-[[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]amino]-1,3-dioxoisoindol-2-yl]phenyl]-triphenylphosphanium
CID 89292657
2-(3-bromophenyl)-5-methylisoindole-1,3-dione
CID 43236211
2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
CID 61207714
5-methyl-2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]isoindole-1,3-dione
CID 90304687
4-(5-methyl-1,3-dioxoisoindol-2-yl)benzaldehyde
CID 106913647
[4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium
CID 59031820
5-methyl-2-(3,4,5-trichlorophenyl)isoindole-1,3-dione
CID 53231887
2-[3-[(3-methylphenyl)methyl]phenyl]isoindole-1,3-dione
CID 164982744
2-(3-methylphenyl)-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione
CID 59031834
[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[3-[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethoxy]carbonylphenyl]-1,3-dioxoisoindole-5-carboxylate
CID 126184956
2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
CID 64794337
5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione
CID 925737

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium?
The IUPAC name of [3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium (CID 59031839) is [3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium.
What is the SMILES notation for [3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium?
The canonical SMILES for [3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium is Cc1ccc2c(c1)C(=O)N(c1cccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c1)C2=O.
What is the InChIKey of [3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium?
The InChIKey is QBGMXHVPWGEQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NO2P/c1-24-20-21-30-31(22-24)33(36)34(32(30)35)25-12-11-19-29(23-25)37(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-23H,1H3/q+1.
What are the key properties of [3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium?
[3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium has a molecular weight of 498.54 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium is sourced from PubChem (CID 59031839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).