N,N-diphenyl-4-(2-phosphorosophenyl)aniline

C24H18NOP — CID 67648063

IUPACN,N-diphenyl-4-(2-phosphorosophenyl)aniline
SMILESO=Pc1ccccc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H18NOP/c26-27-24-14-8-7-13-23(24)19-15-17-22(18-16-19)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18H
InChIKeyTTWNPFNWLVPGPH-UHFFFAOYSA-N
MW367.39 g/mol
LogP6.74
Rot. Bonds5

About N,N-diphenyl-4-(2-phosphorosophenyl)aniline

N,N-diphenyl-4-(2-phosphorosophenyl)aniline (PubChem CID 67648063) has the molecular formula C24H18NOP and a molecular weight of 367.39 g/mol. Its IUPAC name is N,N-diphenyl-4-(2-phosphorosophenyl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(2-phosphorosophenyl)aniline
PubChem CID67648063
Molecular FormulaC24H18NOP
Molecular Weight367.39 g/mol
Exact Mass367.11
IUPAC NameN,N-diphenyl-4-(2-phosphorosophenyl)aniline
SMILESO=Pc1ccccc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H18NOP/c26-27-24-14-8-7-13-23(24)19-15-17-22(18-16-19)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18H
InChIKeyTTWNPFNWLVPGPH-UHFFFAOYSA-N
XLogP6.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.39
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(2-phosphorosophenyl)aniline?
The IUPAC name of N,N-diphenyl-4-(2-phosphorosophenyl)aniline (CID 67648063) is N,N-diphenyl-4-(2-phosphorosophenyl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(2-phosphorosophenyl)aniline?
The canonical SMILES for N,N-diphenyl-4-(2-phosphorosophenyl)aniline is O=Pc1ccccc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-4-(2-phosphorosophenyl)aniline?
The InChIKey is TTWNPFNWLVPGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18NOP/c26-27-24-14-8-7-13-23(24)19-15-17-22(18-16-19)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18H.
What are the key properties of N,N-diphenyl-4-(2-phosphorosophenyl)aniline?
N,N-diphenyl-4-(2-phosphorosophenyl)aniline has a molecular weight of 367.39 g/mol, XLogP of 6.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(2-phosphorosophenyl)aniline is sourced from PubChem (CID 67648063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).