Completing data — usually done within a minute
Basic information
- CAS
3360-72-3- Standard SMILES
O=P(Oc1ccccc1)(Oc1ccccc1)C(Nc1ccccc1)c1ccncc1- InChIKey
CVOHYHGGAFQJDU-UHFFFAOYSA-N- Molecular formula
- C24H21N2O3P
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 416.12897916
Names & identifiers
- Preferred name
- Diphenyl (phenylamino)(pyridin-4-yl)methylphosphonate
- IUPAC
- N-[diphenoxyphosphoryl(pyridin-4-yl)methyl]aniline
Names & synonyms
3360-72-3diphenyl (phenylamino)(pyridin-4-yl)methylphosphonateDiphenyl ((phenylamino)(pyridin-4-yl)methyl)phosphonate((phenylamino)-(4-pyridylmethyl)]phosphonic acid diphenyl ester[(phenylamino)-(4-pyridylmethyl)]phosphonic acid diphenyl esterNSC157470SCHEMBL1014276DTXSID10329779CVOHYHGGAFQJDU-UHFFFAOYSA-NNSC-157470Diphenyl [anilino(pyridin-4-yl)methyl]phosphonate[(phenylamino)-4-pyridinylmethyl]phosphonic acid diphenyl ester
Database identifiers
- CAS
3360-72-3- PubChem CID
- 423769
- DTXSID
DTXSID10329779- Nikkaji
- J954.462C
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 513
Related reactions
5 records
Compound notes
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