dibenzyl-bromo-didodecyl-λ5-phosphane

C38H64BrP — CID 140528034

IUPACdibenzyl-bromo-didodecyl-λ5-phosphane
SMILESCCCCCCCCCCCCP(Br)(CCCCCCCCCCCC)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C38H64BrP/c1-3-5-7-9-11-13-15-17-19-27-33-40(39,35-37-29-23-21-24-30-37,36-38-31-25-22-26-32-38)34-28-20-18-16-14-12-10-8-6-4-2/h21-26,29-32H,3-20,27-28,33-36H2,1-2H3
InChIKeyREKXDOPYJNLYAR-UHFFFAOYSA-N
MW631.81 g/mol
LogP14.09
Rot. Bonds26

About dibenzyl-bromo-didodecyl-λ5-phosphane

dibenzyl-bromo-didodecyl-λ5-phosphane (PubChem CID 140528034) has the molecular formula C38H64BrP and a molecular weight of 631.81 g/mol. Its IUPAC name is dibenzyl-bromo-didodecyl-λ5-phosphane.

Molecular Properties

Compound Namedibenzyl-bromo-didodecyl-λ5-phosphane
PubChem CID140528034
Molecular FormulaC38H64BrP
Molecular Weight631.81 g/mol
Exact Mass630.39
IUPAC Namedibenzyl-bromo-didodecyl-λ5-phosphane
SMILESCCCCCCCCCCCCP(Br)(CCCCCCCCCCCC)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C38H64BrP/c1-3-5-7-9-11-13-15-17-19-27-33-40(39,35-37-29-23-21-24-30-37,36-38-31-25-22-26-32-38)34-28-20-18-16-14-12-10-8-6-4-2/h21-26,29-32H,3-20,27-28,33-36H2,1-2H3
InChIKeyREKXDOPYJNLYAR-UHFFFAOYSA-N
XLogP14.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.81
LogP ≤ 514.09
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

benzyl-bromo-dodecyl-dimethyl-λ5-phosphane
CID 139702290
benzyl-bromo-dimethyl-pentyl-λ5-phosphane
CID 140527604
dibenzyl-chloro-diheptyl-λ5-phosphane
CID 140527552
benzyl-chloro-dimethyl-nonyl-λ5-phosphane
CID 140527849
3-[bromo-(2-hydroxyethyl)-octyl-(3-phenylpropyl)-λ5-phosphanyl]propan-1-ol
CID 139658554
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride
CID 173028038
bromo-tetra(undecyl)-λ5-phosphane
CID 162511876
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

Frequently Asked Questions

What is the IUPAC name of dibenzyl-bromo-didodecyl-λ5-phosphane?
The IUPAC name of dibenzyl-bromo-didodecyl-λ5-phosphane (CID 140528034) is dibenzyl-bromo-didodecyl-λ5-phosphane.
What is the SMILES notation for dibenzyl-bromo-didodecyl-λ5-phosphane?
The canonical SMILES for dibenzyl-bromo-didodecyl-λ5-phosphane is CCCCCCCCCCCCP(Br)(CCCCCCCCCCCC)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl-bromo-didodecyl-λ5-phosphane?
The InChIKey is REKXDOPYJNLYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H64BrP/c1-3-5-7-9-11-13-15-17-19-27-33-40(39,35-37-29-23-21-24-30-37,36-38-31-25-22-26-32-38)34-28-20-18-16-14-12-10-8-6-4-2/h21-26,29-32H,3-20,27-28,33-36H2,1-2H3.
What are the key properties of dibenzyl-bromo-didodecyl-λ5-phosphane?
dibenzyl-bromo-didodecyl-λ5-phosphane has a molecular weight of 631.81 g/mol, XLogP of 14.09, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-bromo-didodecyl-λ5-phosphane is sourced from PubChem (CID 140528034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).