N-diphenylphosphoryloxy-N-phenylaniline

C24H20NO2P — CID 175451878

IUPACN-diphenylphosphoryloxy-N-phenylaniline
SMILESO=P(ON(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20NO2P/c26-28(23-17-9-3-10-18-23,24-19-11-4-12-20-24)27-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20H
InChIKeyUTZURRCACJLLQR-UHFFFAOYSA-N
MW385.40 g/mol
LogP5.69
Rot. Bonds6

About N-diphenylphosphoryloxy-N-phenylaniline

N-diphenylphosphoryloxy-N-phenylaniline (PubChem CID 175451878) has the molecular formula C24H20NO2P and a molecular weight of 385.40 g/mol. Its IUPAC name is N-diphenylphosphoryloxy-N-phenylaniline.

Molecular Properties

Compound NameN-diphenylphosphoryloxy-N-phenylaniline
PubChem CID175451878
Molecular FormulaC24H20NO2P
Molecular Weight385.40 g/mol
Exact Mass385.12
IUPAC NameN-diphenylphosphoryloxy-N-phenylaniline
SMILESO=P(ON(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20NO2P/c26-28(23-17-9-3-10-18-23,24-19-11-4-12-20-24)27-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20H
InChIKeyUTZURRCACJLLQR-UHFFFAOYSA-N
XLogP5.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.40
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl (N-phenylanilino) hydrogen phosphate
CID 140553969
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
CID 54525975
CID 54525975
N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline
CID 139073368
N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline
CID 139617571
N-[chloro(phenyl)phosphoryl]-N-methylaniline
CID 13317612
diphenylphosphorylbenzene;terbium
CID 86595283
1-methyl-2-[phenoxy(phenyl)phosphoryl]benzene
CID 628026
[[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene
CID 149077573
lithium N-(diphenylphosphorylmethyl)-N-methylaniline
CID 134881538
1-diphenylphosphoryloxy-4-fluorobenzene
CID 23234465
O-[aminooxy(phenyl)phosphoryl]hydroxylamine
CID 70403150

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphoryloxy-N-phenylaniline?
The IUPAC name of N-diphenylphosphoryloxy-N-phenylaniline (CID 175451878) is N-diphenylphosphoryloxy-N-phenylaniline.
What is the SMILES notation for N-diphenylphosphoryloxy-N-phenylaniline?
The canonical SMILES for N-diphenylphosphoryloxy-N-phenylaniline is O=P(ON(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphoryloxy-N-phenylaniline?
The InChIKey is UTZURRCACJLLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20NO2P/c26-28(23-17-9-3-10-18-23,24-19-11-4-12-20-24)27-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20H.
What are the key properties of N-diphenylphosphoryloxy-N-phenylaniline?
N-diphenylphosphoryloxy-N-phenylaniline has a molecular weight of 385.40 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryloxy-N-phenylaniline is sourced from PubChem (CID 175451878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).