1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone

C26H22NOP — CID 2784128

IUPAC1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone
SMILESNc1ccc(C(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22NOP/c27-22-18-16-21(17-19-22)26(28)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-20H,27H2
InChIKeyQENNEPSJHWYMIO-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.25
Rot. Bonds5

About 1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone

1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone (PubChem CID 2784128) has the molecular formula C26H22NOP and a molecular weight of 395.44 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone
PubChem CID2784128
Molecular FormulaC26H22NOP
Molecular Weight395.44 g/mol
Exact Mass395.14
IUPAC Name1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone
SMILESNc1ccc(C(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22NOP/c27-22-18-16-21(17-19-22)26(28)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-20H,27H2
InChIKeyQENNEPSJHWYMIO-UHFFFAOYSA-N
XLogP4.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-(triphenyl-λ5-phosphanylidene)acetyl]benzoate
CID 50901671
1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride
CID 71348543
(4-aminophenyl)-phenylmethanone
CID 14346
2-(4-aminophenyl)-2-oxoacetaldehyde;hydrate
CID 133059277
3-amino-1-(4-aminophenyl)prop-2-en-1-one
CID 70629831
sodium;aniline;carbonic acid;hydride
CID 175280477
1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone
CID 11728794
benzene-1,2-diamine;carbonic acid
CID 22256139
ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;hydrobromide
CID 173228193
4-aminobenzoic acid;hydrofluoride
CID 159690577
4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline
CID 22124141
4-amino-N-methyl-N-phenylbenzamide
CID 4306081

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone?
The IUPAC name of 1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone (CID 2784128) is 1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone.
What is the SMILES notation for 1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone?
The canonical SMILES for 1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone is Nc1ccc(C(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone?
The InChIKey is QENNEPSJHWYMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22NOP/c27-22-18-16-21(17-19-22)26(28)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-20H,27H2.
What are the key properties of 1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone?
1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone has a molecular weight of 395.44 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone is sourced from PubChem (CID 2784128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).