1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione

C31H36N3O3P — CID 134272260

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)CC(P2(=O)N(c3ccccc3)CCCN2c2ccccc2)C1=O
InChIInChI=1S/C31H36N3O3P/c1-22(2)26-17-11-18-27(23(3)4)30(26)34-29(35)21-28(31(34)36)38(37)32(24-13-7-5-8-14-24)19-12-20-33(38)25-15-9-6-10-16-25/h5-11,13-18,22-23,28H,12,19-21H2,1-4H3
InChIKeyLNGITYPAKJRJBS-UHFFFAOYSA-N
MW529.62 g/mol
LogP7.18
Rot. Bonds6

About 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione

1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione (PubChem CID 134272260) has the molecular formula C31H36N3O3P and a molecular weight of 529.62 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione
PubChem CID134272260
Molecular FormulaC31H36N3O3P
Molecular Weight529.62 g/mol
Exact Mass529.25
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)CC(P2(=O)N(c3ccccc3)CCCN2c2ccccc2)C1=O
InChIInChI=1S/C31H36N3O3P/c1-22(2)26-17-11-18-27(23(3)4)30(26)34-29(35)21-28(31(34)36)38(37)32(24-13-7-5-8-14-24)19-12-20-33(38)25-15-9-6-10-16-25/h5-11,13-18,22-23,28H,12,19-21H2,1-4H3
InChIKeyLNGITYPAKJRJBS-UHFFFAOYSA-N
XLogP7.18
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.62
LogP ≤ 57.18
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'}

Analyze 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione 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 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione (CID 134272260) is 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione is CC(C)c1cccc(C(C)C)c1N1C(=O)CC(P2(=O)N(c3ccccc3)CCCN2c2ccccc2)C1=O.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is LNGITYPAKJRJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N3O3P/c1-22(2)26-17-11-18-27(23(3)4)30(26)34-29(35)21-28(31(34)36)38(37)32(24-13-7-5-8-14-24)19-12-20-33(38)25-15-9-6-10-16-25/h5-11,13-18,22-23,28H,12,19-21H2,1-4H3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione?
1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 529.62 g/mol, XLogP of 7.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 134272260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).