2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline

C26H24NP — CID 2734939

IUPAC2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24NP/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-20H,1-2H3
InChIKeyJGFXUYLYPITYGR-UHFFFAOYSA-N
MW381.46 g/mol
LogP5.18
Rot. Bonds5

About 2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline

2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline (PubChem CID 2734939) has the molecular formula C26H24NP and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline
PubChem CID2734939
Molecular FormulaC26H24NP
Molecular Weight381.46 g/mol
Exact Mass381.16
IUPAC Name2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24NP/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-20H,1-2H3
InChIKeyJGFXUYLYPITYGR-UHFFFAOYSA-N
XLogP5.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline?
The IUPAC name of 2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline (CID 2734939) is 2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline?
The canonical SMILES for 2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline is CN(C)c1ccccc1-c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline?
The InChIKey is JGFXUYLYPITYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24NP/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-20H,1-2H3.
What are the key properties of 2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline?
2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline has a molecular weight of 381.46 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline is sourced from PubChem (CID 2734939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).