N-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline

C32H27N2O3P — CID 12643200

IUPACN-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)C(/C(=N/Nc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H27N2O3P/c35-38(36-29-22-12-4-13-23-29,37-30-24-14-5-15-25-30)32(27-18-8-2-9-19-27)31(26-16-6-1-7-17-26)34-33-28-20-10-3-11-21-28/h1-25,32-33H/b34-31+
InChIKeyWUNHTFXLEUNEBP-WUVHBKSUSA-N
MW518.55 g/mol
LogP8.60
Rot. Bonds10

About N-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline

N-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline (PubChem CID 12643200) has the molecular formula C32H27N2O3P and a molecular weight of 518.55 g/mol. Its IUPAC name is N-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline.

Molecular Properties

Compound NameN-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline
PubChem CID12643200
Molecular FormulaC32H27N2O3P
Molecular Weight518.55 g/mol
Exact Mass518.18
IUPAC NameN-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)C(/C(=N/Nc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H27N2O3P/c35-38(36-29-22-12-4-13-23-29,37-30-24-14-5-15-25-30)32(27-18-8-2-9-19-27)31(26-16-6-1-7-17-26)34-33-28-20-10-3-11-21-28/h1-25,32-33H/b34-31+
InChIKeyWUNHTFXLEUNEBP-WUVHBKSUSA-N
XLogP8.60
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.55
LogP ≤ 58.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline
CID 555323
(S)-diphenoxyphosphoryl(phenyl)methanol
CID 36690824
ethyl (2S)-2-[[(1R,2E)-1,2-diphenyl-2-(phenylhydrazinylidene)ethyl]amino]propanoate
CID 10739816
N-diphenoxyphosphoryl-1-phenylethanamine
CID 4689320
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
3-diphenoxyphosphoryl-N-[(1S)-1-phenylethyl]butan-2-imine
CID 102080165
diphenyl hydrogen phosphate;N-phenylaniline
CID 172852100
N,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide
CID 132833444
(2Z)-N-methyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 15371306
methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate
CID 6076546
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
2-anilino-1-benzamidoguanidine
CID 154146821

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline?
The IUPAC name of N-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline (CID 12643200) is N-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline.
What is the SMILES notation for N-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline?
The canonical SMILES for N-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline is O=P(Oc1ccccc1)(Oc1ccccc1)C(/C(=N/Nc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline?
The InChIKey is WUNHTFXLEUNEBP-WUVHBKSUSA-N. The full InChI is InChI=1S/C32H27N2O3P/c35-38(36-29-22-12-4-13-23-29,37-30-24-14-5-15-25-30)32(27-18-8-2-9-19-27)31(26-16-6-1-7-17-26)34-33-28-20-10-3-11-21-28/h1-25,32-33H/b34-31+.
What are the key properties of N-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline?
N-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline has a molecular weight of 518.55 g/mol, XLogP of 8.60, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline is sourced from PubChem (CID 12643200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).