Basic information
- CAS
16221-22-0- Standard SMILES
O=C(NNc1ccccc1)NP(=O)(NC(=O)NNc1ccccc1)NC(=O)NNc1ccccc1- InChIKey
XIDNUMUTPZZBDI-UHFFFAOYSA-N- Molecular formula
- C21H24N9O4P
- Average molar mass
- 497.4 g/mol
- Monoisotopic mass
- 497.16888728
Names & identifiers
- Preferred name
- Semicarbazide, 4,4',4''-phosphinylidynetris(1-phenyl-
- IUPAC
- 1-anilino-3-bis(anilinocarbamoylamino)phosphorylurea
Names & synonyms
Semicarbazide, 4,4',4''-phosphinylidynetris(1-phenyl-16221-22-0NSC 105793BRN 2929229DTXSID101673351-Phenyl-4-phosphinylidyne semicarbazideRefChem:380123DTXCID8089826XIDNUMUTPZZBDI-UHFFFAOYSA-N4,4',4''-Phosphinylidynetris(1-phenylsemicarbazide)NSC1057934,4', {4''-Phosphinylidynetris[1-phenylsemicarbazide]}
Show more names
NSC-1057934,4''-Phosphinylidynetris[1-phenylsemicarbazide]Semicarbazide,4',4''-phosphinylidynetris[1-phenyl-1-anilino-3-bis(anilinocarbamoylamino)phosphoryl-ureaN,N',N''-Phosphoryltris(2-phenylhydrazine-1-carboxamide)Semicarbazide, {4,4',4''-phosphinylidynetris[1-phenyl-}
Database identifiers
- CAS
16221-22-0- PubChem CID
- 97198
- DTXSID
DTXSID10167335- Nikkaji
- J48.290K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 643
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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