2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene

C8H16Cl4N3O2P3 — CID 66557009

IUPAC2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene
SMILESCC1(C)COP2(=NP(Cl)(Cl)=NP(Cl)(Cl)=N2)OCC1(C)C
InChIInChI=1S/C8H16Cl4N3O2P3/c1-7(2)5-16-20(17-6-8(7,3)4)14-18(9,10)13-19(11,12)15-20/h5-6H2,1-4H3
InChIKeyZVIHENWJWUGJTL-UHFFFAOYSA-N
MW420.97 g/mol
LogP7.89
Rot. Bonds

About 2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene

2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene (PubChem CID 66557009) has the molecular formula C8H16Cl4N3O2P3 and a molecular weight of 420.97 g/mol. Its IUPAC name is 2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene.

Molecular Properties

Compound Name2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene
PubChem CID66557009
Molecular FormulaC8H16Cl4N3O2P3
Molecular Weight420.97 g/mol
Exact Mass418.92
IUPAC Name2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene
SMILESCC1(C)COP2(=NP(Cl)(Cl)=NP(Cl)(Cl)=N2)OCC1(C)C
InChIInChI=1S/C8H16Cl4N3O2P3/c1-7(2)5-16-20(17-6-8(7,3)4)14-18(9,10)13-19(11,12)15-20/h5-6H2,1-4H3
InChIKeyZVIHENWJWUGJTL-UHFFFAOYSA-N
XLogP7.89
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.97
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene?
The IUPAC name of 2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene (CID 66557009) is 2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene.
What is the SMILES notation for 2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene?
The canonical SMILES for 2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene is CC1(C)COP2(=NP(Cl)(Cl)=NP(Cl)(Cl)=N2)OCC1(C)C.
What is the InChIKey of 2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene?
The InChIKey is ZVIHENWJWUGJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl4N3O2P3/c1-7(2)5-16-20(17-6-8(7,3)4)14-18(9,10)13-19(11,12)15-20/h5-6H2,1-4H3.
What are the key properties of 2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene?
2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene has a molecular weight of 420.97 g/mol, XLogP of 7.89, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene is sourced from PubChem (CID 66557009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).