2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide

C24H26N3O3P — CID 134272232

IUPAC2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide
SMILESO=[N+]([O-])CC(Cc1ccccc1)P1(=O)N(c2ccccc2)CCCN1c1ccccc1
InChIInChI=1S/C24H26N3O3P/c28-27(29)20-24(19-21-11-4-1-5-12-21)31(30)25(22-13-6-2-7-14-22)17-10-18-26(31)23-15-8-3-9-16-23/h1-9,11-16,24H,10,17-20H2
InChIKeyRUJWYQLEAAVQEZ-UHFFFAOYSA-N
MW435.46 g/mol
LogP5.48
Rot. Bonds7

About 2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide

2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide (PubChem CID 134272232) has the molecular formula C24H26N3O3P and a molecular weight of 435.46 g/mol. Its IUPAC name is 2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide.

Molecular Properties

Compound Name2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide
PubChem CID134272232
Molecular FormulaC24H26N3O3P
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC Name2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide
SMILESO=[N+]([O-])CC(Cc1ccccc1)P1(=O)N(c2ccccc2)CCCN1c1ccccc1
InChIInChI=1S/C24H26N3O3P/c28-27(29)20-24(19-21-11-4-1-5-12-21)31(30)25(22-13-6-2-7-14-22)17-10-18-26(31)23-15-8-3-9-16-23/h1-9,11-16,24H,10,17-20H2
InChIKeyRUJWYQLEAAVQEZ-UHFFFAOYSA-N
XLogP5.48
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.46
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide 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 2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide?
The IUPAC name of 2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide (CID 134272232) is 2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide.
What is the SMILES notation for 2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide?
The canonical SMILES for 2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide is O=[N+]([O-])CC(Cc1ccccc1)P1(=O)N(c2ccccc2)CCCN1c1ccccc1.
What is the InChIKey of 2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide?
The InChIKey is RUJWYQLEAAVQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N3O3P/c28-27(29)20-24(19-21-11-4-1-5-12-21)31(30)25(22-13-6-2-7-14-22)17-10-18-26(31)23-15-8-3-9-16-23/h1-9,11-16,24H,10,17-20H2.
What are the key properties of 2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide?
2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide has a molecular weight of 435.46 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-nitro-3-phenylpropan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphosphinane 2-oxide is sourced from PubChem (CID 134272232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).