3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one

C28H21N2O2P — CID 164523828

IUPAC3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1n1cc(P(=O)(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C28H21N2O2P/c31-28-27(22-15-7-9-17-24(22)29-28)30-19-26(23-16-8-10-18-25(23)30)33(32,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-19,27H,(H,29,31)
InChIKeySPZHJFKCXMICGH-UHFFFAOYSA-N
MW448.46 g/mol
LogP4.82
Rot. Bonds4

About 3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one

3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one (PubChem CID 164523828) has the molecular formula C28H21N2O2P and a molecular weight of 448.46 g/mol. Its IUPAC name is 3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one
PubChem CID164523828
Molecular FormulaC28H21N2O2P
Molecular Weight448.46 g/mol
Exact Mass448.13
IUPAC Name3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1n1cc(P(=O)(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C28H21N2O2P/c31-28-27(22-15-7-9-17-24(22)29-28)30-19-26(23-16-8-10-18-25(23)30)33(32,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-19,27H,(H,29,31)
InChIKeySPZHJFKCXMICGH-UHFFFAOYSA-N
XLogP4.82
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one (CID 164523828) is 3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1n1cc(P(=O)(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is SPZHJFKCXMICGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N2O2P/c31-28-27(22-15-7-9-17-24(22)29-28)30-19-26(23-16-8-10-18-25(23)30)33(32,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-19,27H,(H,29,31).
What are the key properties of 3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one?
3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 448.46 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 164523828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).