bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium

C24H18O5P+ — CID 174874865

IUPACbis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium
SMILESO=C(CO[P+](=O)OCC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C24H18O5P/c25-23(21-11-9-17-5-1-3-7-19(17)13-21)15-28-30(27)29-16-24(26)22-12-10-18-6-2-4-8-20(18)14-22/h1-14H,15-16H2/q+1
InChIKeyADHOKWBPFHTONU-UHFFFAOYSA-N
MW417.38 g/mol
LogP5.75
Rot. Bonds8

About bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium

bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium (PubChem CID 174874865) has the molecular formula C24H18O5P+ and a molecular weight of 417.38 g/mol. Its IUPAC name is bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium
PubChem CID174874865
Molecular FormulaC24H18O5P+
Molecular Weight417.38 g/mol
Exact Mass417.09
IUPAC Namebis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium
SMILESO=C(CO[P+](=O)OCC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C24H18O5P/c25-23(21-11-9-17-5-1-3-7-19(17)13-21)15-28-30(27)29-16-24(26)22-12-10-18-6-2-4-8-20(18)14-22/h1-14H,15-16H2/q+1
InChIKeyADHOKWBPFHTONU-UHFFFAOYSA-N
XLogP5.75
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.38
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate
CID 888123
(2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate
CID 57379444
2-(3-aminophenoxy)-1-naphthalen-2-ylethanone
CID 46307596
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate
CID 7698509
(2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 19132649
(2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602774
(2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 17464453
1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone
CID 10945509

Frequently Asked Questions

What is the IUPAC name of bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium?
The IUPAC name of bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium (CID 174874865) is bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium.
What is the SMILES notation for bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium?
The canonical SMILES for bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium is O=C(CO[P+](=O)OCC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium?
The InChIKey is ADHOKWBPFHTONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O5P/c25-23(21-11-9-17-5-1-3-7-19(17)13-21)15-28-30(27)29-16-24(26)22-12-10-18-6-2-4-8-20(18)14-22/h1-14H,15-16H2/q+1.
What are the key properties of bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium?
bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium has a molecular weight of 417.38 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium is sourced from PubChem (CID 174874865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).