10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-fluorophenyl)phosphanium

C36H36F3NO2P+ — CID 70693781

IUPAC10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-fluorophenyl)phosphanium
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCCC[P+](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C36H36F3NO2P/c37-27-13-19-30(20-14-27)43(31-21-15-28(38)16-22-31,32-23-17-29(39)18-24-32)26-10-6-4-2-1-3-5-9-25-40-35(41)33-11-7-8-12-34(33)36(40)42/h7-8,11-24H,1-6,9-10,25-26H2/q+1
InChIKeyUPXAXSGYORFMEQ-UHFFFAOYSA-N
MW602.66 g/mol
LogP7.81
Rot. Bonds14

About 10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-fluorophenyl)phosphanium

10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-fluorophenyl)phosphanium (PubChem CID 70693781) has the molecular formula C36H36F3NO2P+ and a molecular weight of 602.66 g/mol. Its IUPAC name is 10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-fluorophenyl)phosphanium.

Molecular Properties

Compound Name10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-fluorophenyl)phosphanium
PubChem CID70693781
Molecular FormulaC36H36F3NO2P+
Molecular Weight602.66 g/mol
Exact Mass602.24
IUPAC Name10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-fluorophenyl)phosphanium
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCCC[P+](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C36H36F3NO2P/c37-27-13-19-30(20-14-27)43(31-21-15-28(38)16-22-31,32-23-17-29(39)18-24-32)26-10-6-4-2-1-3-5-9-25-40-35(41)33-11-7-8-12-34(33)36(40)42/h7-8,11-24H,1-6,9-10,25-26H2/q+1
InChIKeyUPXAXSGYORFMEQ-UHFFFAOYSA-N
XLogP7.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.66
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-fluorophenyl)phosphanium?
The IUPAC name of 10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-fluorophenyl)phosphanium (CID 70693781) is 10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-fluorophenyl)phosphanium.
What is the SMILES notation for 10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-fluorophenyl)phosphanium?
The canonical SMILES for 10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-fluorophenyl)phosphanium is O=C1c2ccccc2C(=O)N1CCCCCCCCCC[P+](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-fluorophenyl)phosphanium?
The InChIKey is UPXAXSGYORFMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36F3NO2P/c37-27-13-19-30(20-14-27)43(31-21-15-28(38)16-22-31,32-23-17-29(39)18-24-32)26-10-6-4-2-1-3-5-9-25-40-35(41)33-11-7-8-12-34(33)36(40)42/h7-8,11-24H,1-6,9-10,25-26H2/q+1.
What are the key properties of 10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-fluorophenyl)phosphanium?
10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-fluorophenyl)phosphanium has a molecular weight of 602.66 g/mol, XLogP of 7.81, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-fluorophenyl)phosphanium is sourced from PubChem (CID 70693781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).