2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline

C26H36NP — CID 2734217

IUPAC2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H36NP/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/h9-12,17-22H,3-8,13-16H2,1-2H3
InChIKeyZEMZPXWZVTUONV-UHFFFAOYSA-N
MW393.56 g/mol
LogP7.19
Rot. Bonds5

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

2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline (PubChem CID 2734217) has the molecular formula C26H36NP and a molecular weight of 393.56 g/mol. Its IUPAC name is 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline
PubChem CID2734217
Molecular FormulaC26H36NP
Molecular Weight393.56 g/mol
Exact Mass393.26
IUPAC Name2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H36NP/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/h9-12,17-22H,3-8,13-16H2,1-2H3
InChIKeyZEMZPXWZVTUONV-UHFFFAOYSA-N
XLogP7.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline?
The IUPAC name of 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline (CID 2734217) is 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline?
The canonical SMILES for 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline is CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline?
The InChIKey is ZEMZPXWZVTUONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36NP/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/h9-12,17-22H,3-8,13-16H2,1-2H3.
What are the key properties of 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline?
2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline has a molecular weight of 393.56 g/mol, XLogP of 7.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline is sourced from PubChem (CID 2734217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).