chempirical

9,10-Bis(diethylphosphonomethyl)anthracene

C24H32O6P2CAS 60974-92-7478.46 g/mol

Open in Covalent MOL file
OPOPOOOO
Phosphonate

Properties

Molecular formula
C24H32O6P2
Molar mass
478.46 g/mol
Exact mass
478.1674 Da
logP
7.53Crippen estimate
Polar surface area
71.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
12

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
60974-92-7
SMILES
CCOP(=O)(CC1=C2C=CC=CC2=C(C3=CC=CC=C31)CP(=O)(OCC)OCC)OCC
InChIKey
PKLFGXZSNISEOV-UHFFFAOYSA-N
InChI
InChI=1S/C24H32O6P2/c1-5-27-31(25,28-6-2)17-23-19-13-9-11-15-21(19)24(22-16-12-10-14-20(22)23)18-32(26,29-7-3)30-8-4/h9-16H,5-8,17-18H2,1-4H3

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Names and synonyms

1 names
  • Tetraethyl (anthracene-9,10-diylbis(methylene))bis(phosphonate)

Work with 9,10-Bis(diethylphosphonomethyl)anthracene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl P-(phenylmethyl)phosphonate1080-32-665 % similar P,P,P′,P′-Tetraethyl P,P′-[1,4-phenylenebis(methylene)]bis[phosphonate]4546-04-763 % similar Tetraethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(phosphonate)17919-34-558 % similar Diethyl P-[(2-methylphenyl)methyl]phosphonate62778-16-957 % similar Diethyl P-[(4-methylphenyl)methyl]phosphonate3762-25-254 % similar Tetraethyl methylenediphosphonate1660-94-254 % similar Diethyl (4-aminobenzyl)phosphonate20074-79-753 % similar Diethyl P-[(4-bromophenyl)methyl]phosphonate38186-51-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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