1,3,6,8-tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4λ5,5-diphosphaspiro[3.4]octane-2,7-dione

C18H22N4O2P2 — CID 12592282

IUPAC1,3,6,8-tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4λ5,5-diphosphaspiro[3.4]octane-2,7-dione
SMILESCN1C(=O)N(C)P2(c3ccccc3)(N(C)C(=O)N2C)P1c1ccccc1
InChIInChI=1S/C18H22N4O2P2/c1-19-17(23)20(2)26(16-13-9-6-10-14-16,21(3)18(24)22(26)4)25(19)15-11-7-5-8-12-15/h5-14H,1-4H3
InChIKeyFKPUDDZLSBSFBD-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.24
Rot. Bonds2

About 1,3,6,8-tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4λ5,5-diphosphaspiro[3.4]octane-2,7-dione

1,3,6,8-tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4λ5,5-diphosphaspiro[3.4]octane-2,7-dione (PubChem CID 12592282) has the molecular formula C18H22N4O2P2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 1,3,6,8-tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4λ5,5-diphosphaspiro[3.4]octane-2,7-dione.

Molecular Properties

Compound Name1,3,6,8-tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4λ5,5-diphosphaspiro[3.4]octane-2,7-dione
PubChem CID12592282
Molecular FormulaC18H22N4O2P2
Molecular Weight388.35 g/mol
Exact Mass388.12
IUPAC Name1,3,6,8-tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4λ5,5-diphosphaspiro[3.4]octane-2,7-dione
SMILESCN1C(=O)N(C)P2(c3ccccc3)(N(C)C(=O)N2C)P1c1ccccc1
InChIInChI=1S/C18H22N4O2P2/c1-19-17(23)20(2)26(16-13-9-6-10-14-16,21(3)18(24)22(26)4)25(19)15-11-7-5-8-12-15/h5-14H,1-4H3
InChIKeyFKPUDDZLSBSFBD-UHFFFAOYSA-N
XLogP3.24
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4,2,3-Diazadiphospholidin-5-one, 1,4-dimethyl-2,3-diphenyl-, 2-oxide
CID 354216
2-Fluoro-1,3-dimethyl-2,2-diphenyl-1,3,2lambda5-diazaphosphetidin-4-one
CID 21732319
1,3-Bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea
CID 15105654
1,3,5,7-Tetramethyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-1,3,5,7-tetraza-4lambda5-phosphaspiro[3.3]heptane-2,6-dione
CID 23416823
4-Diphenylphosphanyl-1,3,5,7-tetramethyl-1,3,5,7-tetraza-4lambda5-phosphaspiro[3.3]heptane-2,6-dione
CID 15092765
2-Chloro-1,3-dimethyl-2-phenyl-2-phenylselanyl-1,3,2lambda5-diazaphosphetidin-4-one
CID 101985688

Frequently Asked Questions

What is the IUPAC name of 1,3,6,8-tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4λ5,5-diphosphaspiro[3.4]octane-2,7-dione?
The IUPAC name of 1,3,6,8-tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4λ5,5-diphosphaspiro[3.4]octane-2,7-dione (CID 12592282) is 1,3,6,8-tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4λ5,5-diphosphaspiro[3.4]octane-2,7-dione.
What is the SMILES notation for 1,3,6,8-tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4λ5,5-diphosphaspiro[3.4]octane-2,7-dione?
The canonical SMILES for 1,3,6,8-tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4λ5,5-diphosphaspiro[3.4]octane-2,7-dione is CN1C(=O)N(C)P2(c3ccccc3)(N(C)C(=O)N2C)P1c1ccccc1.
What is the InChIKey of 1,3,6,8-tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4λ5,5-diphosphaspiro[3.4]octane-2,7-dione?
The InChIKey is FKPUDDZLSBSFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2P2/c1-19-17(23)20(2)26(16-13-9-6-10-14-16,21(3)18(24)22(26)4)25(19)15-11-7-5-8-12-15/h5-14H,1-4H3.
What are the key properties of 1,3,6,8-tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4λ5,5-diphosphaspiro[3.4]octane-2,7-dione?
1,3,6,8-tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4λ5,5-diphosphaspiro[3.4]octane-2,7-dione has a molecular weight of 388.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,8-tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4λ5,5-diphosphaspiro[3.4]octane-2,7-dione is sourced from PubChem (CID 12592282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).