2-diphenylphosphanylaniline

C18H16NP — CID 5250308

IUPAC2-diphenylphosphanylaniline
SMILESNc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,19H2
InChIKeyWIJJGRVJLNMTCI-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.03
Rot. Bonds3

About 2-diphenylphosphanylaniline

2-diphenylphosphanylaniline (PubChem CID 5250308) has the molecular formula C18H16NP and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-diphenylphosphanylaniline.

Molecular Properties

Compound Name2-diphenylphosphanylaniline
PubChem CID5250308
Molecular FormulaC18H16NP
Molecular Weight277.31 g/mol
Exact Mass277.10
IUPAC Name2-diphenylphosphanylaniline
SMILESNc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,19H2
InChIKeyWIJJGRVJLNMTCI-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanylaniline?
The IUPAC name of 2-diphenylphosphanylaniline (CID 5250308) is 2-diphenylphosphanylaniline.
What is the SMILES notation for 2-diphenylphosphanylaniline?
The canonical SMILES for 2-diphenylphosphanylaniline is Nc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanylaniline?
The InChIKey is WIJJGRVJLNMTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,19H2.
What are the key properties of 2-diphenylphosphanylaniline?
2-diphenylphosphanylaniline has a molecular weight of 277.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylaniline is sourced from PubChem (CID 5250308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).