dibromo-butyl-diphenyl-λ5-phosphane

C16H19Br2P — CID 134984074

IUPACdibromo-butyl-diphenyl-λ5-phosphane
SMILESCCCCP(Br)(Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19Br2P/c1-2-3-14-19(17,18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeyBCSZLMPOLGDACB-UHFFFAOYSA-N
MW402.11 g/mol
LogP5.61
Rot. Bonds5

About dibromo-butyl-diphenyl-λ5-phosphane

dibromo-butyl-diphenyl-λ5-phosphane (PubChem CID 134984074) has the molecular formula C16H19Br2P and a molecular weight of 402.11 g/mol. Its IUPAC name is dibromo-butyl-diphenyl-λ5-phosphane.

Molecular Properties

Compound Namedibromo-butyl-diphenyl-λ5-phosphane
PubChem CID134984074
Molecular FormulaC16H19Br2P
Molecular Weight402.11 g/mol
Exact Mass399.96
IUPAC Namedibromo-butyl-diphenyl-λ5-phosphane
SMILESCCCCP(Br)(Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19Br2P/c1-2-3-14-19(17,18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeyBCSZLMPOLGDACB-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.11
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
tris[butyl(triphenyl)-λ5-phosphanyl] borate
CID 141029383
iodo-octadecyl-triphenyl-λ5-phosphane
CID 140528131
iodo-pentadecyl-triphenyl-lambda5-phosphane
CID 15341703
chloro-dioctadecyl-diphenyl-λ5-phosphane
CID 140527769
iodo-dioctyl-diphenyl-λ5-phosphane
CID 140527903
chloro-didodecyl-diphenyl-λ5-phosphane
CID 140527781
dodecyl-trihydroxy-phenyl-λ5-phosphane
CID 57297233
dibenzyl-bromo-didodecyl-λ5-phosphane
CID 140528034
methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate
CID 174530893
benzyl-bromo-dimethyl-pentyl-λ5-phosphane
CID 140527604

Frequently Asked Questions

What is the IUPAC name of dibromo-butyl-diphenyl-λ5-phosphane?
The IUPAC name of dibromo-butyl-diphenyl-λ5-phosphane (CID 134984074) is dibromo-butyl-diphenyl-λ5-phosphane.
What is the SMILES notation for dibromo-butyl-diphenyl-λ5-phosphane?
The canonical SMILES for dibromo-butyl-diphenyl-λ5-phosphane is CCCCP(Br)(Br)(c1ccccc1)c1ccccc1.
What is the InChIKey of dibromo-butyl-diphenyl-λ5-phosphane?
The InChIKey is BCSZLMPOLGDACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br2P/c1-2-3-14-19(17,18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3.
What are the key properties of dibromo-butyl-diphenyl-λ5-phosphane?
dibromo-butyl-diphenyl-λ5-phosphane has a molecular weight of 402.11 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo-butyl-diphenyl-λ5-phosphane is sourced from PubChem (CID 134984074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).