bis[4-(dimethylamino)phenyl]-oxophosphanium

C16H20N2OP+ — CID 6340345

IUPACbis[4-(dimethylamino)phenyl]-oxophosphanium
SMILESCN(C)c1ccc([P+](=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H20N2OP/c1-17(2)13-5-9-15(10-6-13)20(19)16-11-7-14(8-12-16)18(3)4/h5-12H,1-4H3/q+1
InChIKeyHILVSVQPQFWLAA-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.60
Rot. Bonds4

About bis[4-(dimethylamino)phenyl]-oxophosphanium

bis[4-(dimethylamino)phenyl]-oxophosphanium (PubChem CID 6340345) has the molecular formula C16H20N2OP+ and a molecular weight of 287.32 g/mol. Its IUPAC name is bis[4-(dimethylamino)phenyl]-oxophosphanium.

Molecular Properties

Compound Namebis[4-(dimethylamino)phenyl]-oxophosphanium
PubChem CID6340345
Molecular FormulaC16H20N2OP+
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namebis[4-(dimethylamino)phenyl]-oxophosphanium
SMILESCN(C)c1ccc([P+](=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H20N2OP/c1-17(2)13-5-9-15(10-6-13)20(19)16-11-7-14(8-12-16)18(3)4/h5-12H,1-4H3/q+1
InChIKeyHILVSVQPQFWLAA-UHFFFAOYSA-N
XLogP2.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[4-(dimethylamino)phenyl]-oxophosphanium?
The IUPAC name of bis[4-(dimethylamino)phenyl]-oxophosphanium (CID 6340345) is bis[4-(dimethylamino)phenyl]-oxophosphanium.
What is the SMILES notation for bis[4-(dimethylamino)phenyl]-oxophosphanium?
The canonical SMILES for bis[4-(dimethylamino)phenyl]-oxophosphanium is CN(C)c1ccc([P+](=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of bis[4-(dimethylamino)phenyl]-oxophosphanium?
The InChIKey is HILVSVQPQFWLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OP/c1-17(2)13-5-9-15(10-6-13)20(19)16-11-7-14(8-12-16)18(3)4/h5-12H,1-4H3/q+1.
What are the key properties of bis[4-(dimethylamino)phenyl]-oxophosphanium?
bis[4-(dimethylamino)phenyl]-oxophosphanium has a molecular weight of 287.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(dimethylamino)phenyl]-oxophosphanium is sourced from PubChem (CID 6340345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).