[4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium

C38H27NO3P+ — CID 59031820

IUPAC[4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium
SMILESO=C1c2ccc(Oc3ccccc3)cc2C(=O)N1c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H27NO3P/c40-37-35-26-23-30(42-29-13-5-1-6-14-29)27-36(35)38(41)39(37)28-21-24-34(25-22-28)43(31-15-7-2-8-16-31,32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-27H/q+1
InChIKeyVTRIZYUHQUAMPA-UHFFFAOYSA-N
MW576.61 g/mol
LogP6.90
Rot. Bonds7

About [4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium

[4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium (PubChem CID 59031820) has the molecular formula C38H27NO3P+ and a molecular weight of 576.61 g/mol. Its IUPAC name is [4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium
PubChem CID59031820
Molecular FormulaC38H27NO3P+
Molecular Weight576.61 g/mol
Exact Mass576.17
IUPAC Name[4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium
SMILESO=C1c2ccc(Oc3ccccc3)cc2C(=O)N1c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H27NO3P/c40-37-35-26-23-30(42-29-13-5-1-6-14-29)27-36(35)38(41)39(37)28-21-24-34(25-22-28)43(31-15-7-2-8-16-31,32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-27H/q+1
InChIKeyVTRIZYUHQUAMPA-UHFFFAOYSA-N
XLogP6.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.61
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 765459
5-[1-imino-3-oxo-2-(4-phenoxyphenyl)isoindol-5-yl]oxy-2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 123289566
5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione
CID 925737
2-(3-phenoxyphenyl)isoindole-1,3-dione
CID 3091542
(4-phenoxyphenyl)-triphenylphosphanium
CID 102105381
7,18-bis(4-phenoxyphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 102222084
6-[1,3-dioxo-2-(4-phenoxyphenyl)isoindol-5-yl]-2-(4-phenoxyphenyl)-3H-isoquinoline-1,4-dione
CID 126711406
2-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-5-nitroisoindole-1,3-dione
CID 1132321
2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 59133266
2-(4-nitrophenyl)-5-[2-(4-nitrophenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 3109986
2-(4-acetylphenyl)-5-[2-(4-acetylphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 1365085
2-(4-methylphenyl)-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione
CID 58078325

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium?
The IUPAC name of [4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium (CID 59031820) is [4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium.
What is the SMILES notation for [4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium?
The canonical SMILES for [4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium is O=C1c2ccc(Oc3ccccc3)cc2C(=O)N1c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium?
The InChIKey is VTRIZYUHQUAMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27NO3P/c40-37-35-26-23-30(42-29-13-5-1-6-14-29)27-36(35)38(41)39(37)28-21-24-34(25-22-28)43(31-15-7-2-8-16-31,32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-27H/q+1.
What are the key properties of [4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium?
[4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium has a molecular weight of 576.61 g/mol, XLogP of 6.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium is sourced from PubChem (CID 59031820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).