2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline

C36H28NOP — CID 127262709

IUPAC2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H28NOP/c38-39(31-21-9-3-10-22-31,32-23-11-4-12-24-32)36-28-16-14-26-34(36)33-25-13-15-27-35(33)37(29-17-5-1-6-18-29)30-19-7-2-8-20-30/h1-28H
InChIKeyCSHIPHYXRYDKTG-UHFFFAOYSA-N
MW521.60 g/mol
LogP8.46
Rot. Bonds7

About 2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline

2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline (PubChem CID 127262709) has the molecular formula C36H28NOP and a molecular weight of 521.60 g/mol. Its IUPAC name is 2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline
PubChem CID127262709
Molecular FormulaC36H28NOP
Molecular Weight521.60 g/mol
Exact Mass521.19
IUPAC Name2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H28NOP/c38-39(31-21-9-3-10-22-31,32-23-11-4-12-24-32)36-28-16-14-26-34(36)33-25-13-15-27-35(33)37(29-17-5-1-6-18-29)30-19-7-2-8-20-30/h1-28H
InChIKeyCSHIPHYXRYDKTG-UHFFFAOYSA-N
XLogP8.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.60
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine
CID 171055011
1-(2-diphenylphosphorylphenyl)-2-methylbenzene
CID 15531741
N,N-bis(4-phenylphenyl)-2-[2-[2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 163940661
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
2-diphenylphosphorylphenol
CID 626229
2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol
CID 177496549
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]aniline
CID 139322197
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
N-phenyl-2-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172502156

Frequently Asked Questions

What is the IUPAC name of 2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline?
The IUPAC name of 2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline (CID 127262709) is 2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline.
What is the SMILES notation for 2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline?
The canonical SMILES for 2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline is O=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline?
The InChIKey is CSHIPHYXRYDKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28NOP/c38-39(31-21-9-3-10-22-31,32-23-11-4-12-24-32)36-28-16-14-26-34(36)33-25-13-15-27-35(33)37(29-17-5-1-6-18-29)30-19-7-2-8-20-30/h1-28H.
What are the key properties of 2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline?
2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline has a molecular weight of 521.60 g/mol, XLogP of 8.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline is sourced from PubChem (CID 127262709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).