N-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline

C28H30N2O3P2 — CID 10481229

IUPACN-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline
SMILESCC(c1ccccc1)P(=O)(Nc1ccccc1)OP(=O)(Nc1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C28H30N2O3P2/c1-23(25-15-7-3-8-16-25)34(31,29-27-19-11-5-12-20-27)33-35(32,30-28-21-13-6-14-22-28)24(2)26-17-9-4-10-18-26/h3-24H,1-2H3,(H,29,31)(H,30,32)
InChIKeyRSXRUGSITSYVJI-UHFFFAOYSA-N
MW504.51 g/mol
LogP9.14
Rot. Bonds10

About N-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline

N-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline (PubChem CID 10481229) has the molecular formula C28H30N2O3P2 and a molecular weight of 504.51 g/mol. Its IUPAC name is N-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline.

Molecular Properties

Compound NameN-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline
PubChem CID10481229
Molecular FormulaC28H30N2O3P2
Molecular Weight504.51 g/mol
Exact Mass504.17
IUPAC NameN-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline
SMILESCC(c1ccccc1)P(=O)(Nc1ccccc1)OP(=O)(Nc1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C28H30N2O3P2/c1-23(25-15-7-3-8-16-25)34(31,29-27-19-11-5-12-20-27)33-35(32,30-28-21-13-6-14-22-28)24(2)26-17-9-4-10-18-26/h3-24H,1-2H3,(H,29,31)(H,30,32)
InChIKeyRSXRUGSITSYVJI-UHFFFAOYSA-N
XLogP9.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.51
LogP ≤ 59.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
N-[bis(2-methylpropoxy)phosphoryl]aniline
CID 3065120
N-[anilino(diethylamino)phosphoryl]aniline
CID 17186015
1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea
CID 2337274
1-[ethoxy(phenyl)phosphoryl]ethylbenzene
CID 11778094
N-[bis(propylamino)phosphoryl]aniline
CID 154418549
cumene;N-phenylaniline
CID 22645781
N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline
CID 139073368
N-[[methyl(2-methylpropoxy)phosphoryl]-phenylmethyl]aniline
CID 3573903
N-diphenoxyphosphoryl-1-phenylethanamine
CID 4689320
1-dimethoxyphosphoryl-2-phenylhydrazine
CID 117066683
butylaminooxy(1-phenylethyl)phosphinic acid
CID 88779493

Frequently Asked Questions

What is the IUPAC name of N-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline?
The IUPAC name of N-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline (CID 10481229) is N-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline.
What is the SMILES notation for N-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline?
The canonical SMILES for N-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline is CC(c1ccccc1)P(=O)(Nc1ccccc1)OP(=O)(Nc1ccccc1)C(C)c1ccccc1.
What is the InChIKey of N-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline?
The InChIKey is RSXRUGSITSYVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3P2/c1-23(25-15-7-3-8-16-25)34(31,29-27-19-11-5-12-20-27)33-35(32,30-28-21-13-6-14-22-28)24(2)26-17-9-4-10-18-26/h3-24H,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline?
N-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline has a molecular weight of 504.51 g/mol, XLogP of 9.14, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline is sourced from PubChem (CID 10481229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).