E5-tetrazatetraphosphocine-2,4,6,8-tetramine

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Basic information

CAS: 7144-03-8
Standard SMILES: CN(c1ccccc1)P1(Cl)=NP(Cl)(N(C)c2ccccc2)=NP(Cl)(N(C)c2ccccc2)=NP(Cl)(N(C)c2ccccc2)=N1
InChIKey: OHUVNQRMISNNMF-UHFFFAOYSA-N
Molecular formula: C28H32Cl4N8P4
Average molar mass: 746.3 g/mol
Monoisotopic mass: 744.045452

Names & identifiers

Preferred name: E5-tetrazatetraphosphocine-2,4,6,8-tetramine
IUPAC: 2,4,6,8-tetrachloro-2-N,4-N,6-N,8-N-tetramethyl-2-N,4-N,6-N,8-N-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4,6,8-tetramine

Names & synonyms

7144-03-8NSC58922DTXSID50289080NSC-58922E5-tetrazatetraphosphocine-2,4,6,8-tetramine2,4,6,8-tetrachloro-n,n',n'',n'''-tetramethyl-n,n',n'',n'''-tetraphenyl-1,3,5,7,22,4,6,8-Tetrachloro-N~2~,N~4~,N~6~,N~8~-tetramethyl-N~2~,N~4~,N~6~,N~8~-tetraphenyl-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetrazatetraphosphocine-2,4,6,8-tetramine

Database identifiers

CAS: 7144-03-8
PubChem CID: 246246
DTXSID: DTXSID50289080

Properties

Computed structural properties

XLogP: 12
Topological polar surface area: 62.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 44
Formal charge: 0
Complexity: 973

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Compound notes

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