N-diphenylphosphanyl-4-ethenyl-N-methylaniline

C21H20NP — CID 130416736

IUPACN-diphenylphosphanyl-4-ethenyl-N-methylaniline
SMILESC=Cc1ccc(N(C)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20NP/c1-3-18-14-16-19(17-15-18)22(2)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h3-17H,1H2,2H3
InChIKeyUDAZPFPIZPHNPD-UHFFFAOYSA-N
MW317.37 g/mol
LogP4.81
Rot. Bonds5

About N-diphenylphosphanyl-4-ethenyl-N-methylaniline

N-diphenylphosphanyl-4-ethenyl-N-methylaniline (PubChem CID 130416736) has the molecular formula C21H20NP and a molecular weight of 317.37 g/mol. Its IUPAC name is N-diphenylphosphanyl-4-ethenyl-N-methylaniline.

Molecular Properties

Compound NameN-diphenylphosphanyl-4-ethenyl-N-methylaniline
PubChem CID130416736
Molecular FormulaC21H20NP
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC NameN-diphenylphosphanyl-4-ethenyl-N-methylaniline
SMILESC=Cc1ccc(N(C)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20NP/c1-3-18-14-16-19(17-15-18)22(2)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h3-17H,1H2,2H3
InChIKeyUDAZPFPIZPHNPD-UHFFFAOYSA-N
XLogP4.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 54.81
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 N-diphenylphosphanyl-4-ethenyl-N-methylaniline?
The IUPAC name of N-diphenylphosphanyl-4-ethenyl-N-methylaniline (CID 130416736) is N-diphenylphosphanyl-4-ethenyl-N-methylaniline.
What is the SMILES notation for N-diphenylphosphanyl-4-ethenyl-N-methylaniline?
The canonical SMILES for N-diphenylphosphanyl-4-ethenyl-N-methylaniline is C=Cc1ccc(N(C)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-diphenylphosphanyl-4-ethenyl-N-methylaniline?
The InChIKey is UDAZPFPIZPHNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20NP/c1-3-18-14-16-19(17-15-18)22(2)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h3-17H,1H2,2H3.
What are the key properties of N-diphenylphosphanyl-4-ethenyl-N-methylaniline?
N-diphenylphosphanyl-4-ethenyl-N-methylaniline has a molecular weight of 317.37 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphanyl-4-ethenyl-N-methylaniline is sourced from PubChem (CID 130416736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).