1,3-bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea

C23H34N2OP2Se2 — CID 15105656

IUPAC1,3-bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea
SMILESCN(C(=O)N(C)P(=[Se])(c1ccccc1)C(C)(C)C)P(=[Se])(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H34N2OP2Se2/c1-22(2,3)27(29,19-15-11-9-12-16-19)24(7)21(26)25(8)28(30,23(4,5)6)20-17-13-10-14-18-20/h9-18H,1-8H3
InChIKeyNWRKQTMGDWECDZ-UHFFFAOYSA-N
MW574.41 g/mol
LogP5.25
Rot. Bonds4

About 1,3-bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea

1,3-bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea (PubChem CID 15105656) has the molecular formula C23H34N2OP2Se2 and a molecular weight of 574.41 g/mol. Its IUPAC name is 1,3-bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1,3-bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea
PubChem CID15105656
Molecular FormulaC23H34N2OP2Se2
Molecular Weight574.41 g/mol
Exact Mass576.05
IUPAC Name1,3-bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea
SMILESCN(C(=O)N(C)P(=[Se])(c1ccccc1)C(C)(C)C)P(=[Se])(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H34N2OP2Se2/c1-22(2,3)27(29,19-15-11-9-12-16-19)24(7)21(26)25(8)28(30,23(4,5)6)20-17-13-10-14-18-20/h9-18H,1-8H3
InChIKeyNWRKQTMGDWECDZ-UHFFFAOYSA-N
XLogP5.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.41
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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
1-Diphenylphosphanyl-1,3-dimethylurea
CID 86209886
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
Benzene;1,3-dimethylurea;ethane
CID 91039129
Urea, N,N'-bis(diphenylphosphino)-N,N'-dimethyl-
CID 12127075
4-Diphenylphosphanyl-1,3,5,7-tetramethyl-1,3,5,7-tetraza-4lambda5-phosphaspiro[3.3]heptane-2,6-dione
CID 15092765
1-[Tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea
CID 15105653
1,3-Bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea
CID 15105655
1,1-Dimethyl-3-(triphenyl-lambda5-phosphanylidene)urea
CID 23417824
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-bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea?
The IUPAC name of 1,3-bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea (CID 15105656) is 1,3-bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea.
What is the SMILES notation for 1,3-bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea?
The canonical SMILES for 1,3-bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea is CN(C(=O)N(C)P(=[Se])(c1ccccc1)C(C)(C)C)P(=[Se])(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1,3-bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea?
The InChIKey is NWRKQTMGDWECDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2OP2Se2/c1-22(2,3)27(29,19-15-11-9-12-16-19)24(7)21(26)25(8)28(30,23(4,5)6)20-17-13-10-14-18-20/h9-18H,1-8H3.
What are the key properties of 1,3-bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea?
1,3-bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea has a molecular weight of 574.41 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea is sourced from PubChem (CID 15105656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).