3-diphenylphosphorylaniline

C18H16NOP — CID 4648453

IUPAC3-diphenylphosphorylaniline
SMILESNc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C18H16NOP/c19-15-8-7-13-18(14-15)21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,19H2
InChIKeyFKNZFDULWRTUDC-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.91
Rot. Bonds3

About 3-diphenylphosphorylaniline

3-diphenylphosphorylaniline (PubChem CID 4648453) has the molecular formula C18H16NOP and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-diphenylphosphorylaniline.

Molecular Properties

Compound Name3-diphenylphosphorylaniline
PubChem CID4648453
Molecular FormulaC18H16NOP
Molecular Weight293.31 g/mol
Exact Mass293.10
IUPAC Name3-diphenylphosphorylaniline
SMILESNc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C18H16NOP/c19-15-8-7-13-18(14-15)21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,19H2
InChIKeyFKNZFDULWRTUDC-UHFFFAOYSA-N
XLogP2.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.91
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

N,N',P-Triphenylphosphonic diamide
CID 78438
Phosphorodiamidic chloride, N,N'-diphenyl-
CID 79727
P,P-Bis(4-aminophenyl)phosphinic acid
CID 97330
N-(triphenylphosphoranylidene)aniline
CID 75352
3-[(Diphenylphosphoryl)methyl]aniline
CID 19578010
Phosphinic acid, bis(m-aminophenyl)-
CID 213222
3-(Diethylphosphoryl)aniline
CID 665247
Tris(3-aminophenyl)phosphine oxide
CID 2779444
4-diphenylphosphoryl-N,N-dimethylaniline
CID 4411547
N-((Diphenylphosphinyl)methyl)-N-methylaniline
CID 4463551
2-(Diphenylphosphino)aniline
CID 5250308
N-(3-aminophenyl)-P,P-diphenylphosphinic amide
CID 929471

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphorylaniline?
The IUPAC name of 3-diphenylphosphorylaniline (CID 4648453) is 3-diphenylphosphorylaniline.
What is the SMILES notation for 3-diphenylphosphorylaniline?
The canonical SMILES for 3-diphenylphosphorylaniline is Nc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-diphenylphosphorylaniline?
The InChIKey is FKNZFDULWRTUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NOP/c19-15-8-7-13-18(14-15)21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,19H2.
What are the key properties of 3-diphenylphosphorylaniline?
3-diphenylphosphorylaniline has a molecular weight of 293.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphorylaniline is sourced from PubChem (CID 4648453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).