bromo(tetrahexadecyl)-lambda5-phosphane

C64H132BrP — CID 14009065

IUPACbromo(tetrahexadecyl)-lambda5-phosphane
SMILESCCCCCCCCCCCCCCCCP(Br)(CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C64H132BrP/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-66(65,62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3
InChIKeyFROITFJBLYIVAB-UHFFFAOYSA-N
MW1012.64 g/mol
LogP25.77
Rot. Bonds60

About bromo(tetrahexadecyl)-lambda5-phosphane

bromo(tetrahexadecyl)-lambda5-phosphane (PubChem CID 14009065) has the molecular formula C64H132BrP and a molecular weight of 1012.64 g/mol. Its IUPAC name is bromo(tetrahexadecyl)-lambda5-phosphane.

Molecular Properties

Compound Namebromo(tetrahexadecyl)-lambda5-phosphane
PubChem CID14009065
Molecular FormulaC64H132BrP
Molecular Weight1012.64 g/mol
Exact Mass1010.93
IUPAC Namebromo(tetrahexadecyl)-lambda5-phosphane
SMILESCCCCCCCCCCCCCCCCP(Br)(CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C64H132BrP/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-66(65,62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3
InChIKeyFROITFJBLYIVAB-UHFFFAOYSA-N
XLogP25.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds60
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.64
LogP ≤ 525.77
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'}

Analyze bromo(tetrahexadecyl)-lambda5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bromo-tetra(tetradecyl)-λ5-phosphane
CID 140527953
bromo-hexyl-trioctyl-λ5-phosphane
CID 140528145
bromo-triheptyl-pentyl-λ5-phosphane
CID 140527924
bromo-didodecyl-dipentyl-λ5-phosphane
CID 140527917
bromo-tetra(undecyl)-λ5-phosphane
CID 162511876
bromo-octadecyl-tripentyl-λ5-phosphane
CID 140527939
bromo-triheptyl-hexyl-λ5-phosphane
CID 140528130
bromo-dibutyl-dipentyl-λ5-phosphane
CID 140528033
bromo-trimethyl-tricosyl-λ5-phosphane
CID 140680177
bromo-hexyl-trimethyl-λ5-phosphane
CID 140527909
bromo-methyl-trioctyl-lambda5-phosphane
CID 14009537
bromo-ethyl-dimethyl-tetradecyl-λ5-phosphane
CID 139700828

Frequently Asked Questions

What is the IUPAC name of bromo(tetrahexadecyl)-lambda5-phosphane?
The IUPAC name of bromo(tetrahexadecyl)-lambda5-phosphane (CID 14009065) is bromo(tetrahexadecyl)-lambda5-phosphane.
What is the SMILES notation for bromo(tetrahexadecyl)-lambda5-phosphane?
The canonical SMILES for bromo(tetrahexadecyl)-lambda5-phosphane is CCCCCCCCCCCCCCCCP(Br)(CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.
What is the InChIKey of bromo(tetrahexadecyl)-lambda5-phosphane?
The InChIKey is FROITFJBLYIVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H132BrP/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-66(65,62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3.
What are the key properties of bromo(tetrahexadecyl)-lambda5-phosphane?
bromo(tetrahexadecyl)-lambda5-phosphane has a molecular weight of 1012.64 g/mol, XLogP of 25.77, 60 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(tetrahexadecyl)-lambda5-phosphane is sourced from PubChem (CID 14009065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).