bromo-decyl-triphenyl-lambda5-phosphane

C28H36BrP — CID 13370783

IUPACbromo-decyl-triphenyl-lambda5-phosphane
SMILESCCCCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36BrP/c1-2-3-4-5-6-7-8-18-25-30(29,26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28/h9-17,19-24H,2-8,18,25H2,1H3
InChIKeyNSUREXMCXIYBJU-UHFFFAOYSA-N
MW483.47 g/mol
LogP7.97
Rot. Bonds12

About bromo-decyl-triphenyl-lambda5-phosphane

bromo-decyl-triphenyl-lambda5-phosphane (PubChem CID 13370783) has the molecular formula C28H36BrP and a molecular weight of 483.47 g/mol. Its IUPAC name is bromo-decyl-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Namebromo-decyl-triphenyl-lambda5-phosphane
PubChem CID13370783
Molecular FormulaC28H36BrP
Molecular Weight483.47 g/mol
Exact Mass482.17
IUPAC Namebromo-decyl-triphenyl-lambda5-phosphane
SMILESCCCCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36BrP/c1-2-3-4-5-6-7-8-18-25-30(29,26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28/h9-17,19-24H,2-8,18,25H2,1H3
InChIKeyNSUREXMCXIYBJU-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.47
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride
CID 171509465
trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
iodo-octadecyl-triphenyl-λ5-phosphane
CID 140528131
chloro-didodecyl-diphenyl-λ5-phosphane
CID 140527781
chloro-dioctadecyl-diphenyl-λ5-phosphane
CID 140527769
iodo-pentadecyl-triphenyl-lambda5-phosphane
CID 15341703
iodo-dioctyl-diphenyl-λ5-phosphane
CID 140527903
dodecyl-trihydroxy-phenyl-λ5-phosphane
CID 57297233
20-[bromo(triphenyl)-λ5-phosphanyl]icosanoic acid
CID 174180824
3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine
CID 140662780
dibromo-butyl-diphenyl-λ5-phosphane
CID 134984074
dibenzyl-bromo-didodecyl-λ5-phosphane
CID 140528034

Frequently Asked Questions

What is the IUPAC name of bromo-decyl-triphenyl-lambda5-phosphane?
The IUPAC name of bromo-decyl-triphenyl-lambda5-phosphane (CID 13370783) is bromo-decyl-triphenyl-lambda5-phosphane.
What is the SMILES notation for bromo-decyl-triphenyl-lambda5-phosphane?
The canonical SMILES for bromo-decyl-triphenyl-lambda5-phosphane is CCCCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-decyl-triphenyl-lambda5-phosphane?
The InChIKey is NSUREXMCXIYBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36BrP/c1-2-3-4-5-6-7-8-18-25-30(29,26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28/h9-17,19-24H,2-8,18,25H2,1H3.
What are the key properties of bromo-decyl-triphenyl-lambda5-phosphane?
bromo-decyl-triphenyl-lambda5-phosphane has a molecular weight of 483.47 g/mol, XLogP of 7.97, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-decyl-triphenyl-lambda5-phosphane is sourced from PubChem (CID 13370783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).