tetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane

C38H77BO2P2 — CID 141003797

IUPACtetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane
SMILESCCCCP(CCCC)(CCCC)(CCCC)OB(OP(CCCC)(CCCC)(CCCC)CCCC)c1ccccc1
InChIInChI=1S/C38H77BO2P2/c1-9-17-30-42(31-18-10-2,32-19-11-3,33-20-12-4)40-39(38-28-26-25-27-29-38)41-43(34-21-13-5,35-22-14-6,36-23-15-7)37-24-16-8/h25-29H,9-24,30-37H2,1-8H3
InChIKeyFXURTRZJSFPIHV-UHFFFAOYSA-N
MW638.79 g/mol
LogP12.75
Rot. Bonds29

About tetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane

tetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane (PubChem CID 141003797) has the molecular formula C38H77BO2P2 and a molecular weight of 638.79 g/mol. Its IUPAC name is tetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane.

Molecular Properties

Compound Nametetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane
PubChem CID141003797
Molecular FormulaC38H77BO2P2
Molecular Weight638.79 g/mol
Exact Mass638.55
IUPAC Nametetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane
SMILESCCCCP(CCCC)(CCCC)(CCCC)OB(OP(CCCC)(CCCC)(CCCC)CCCC)c1ccccc1
InChIInChI=1S/C38H77BO2P2/c1-9-17-30-42(31-18-10-2,32-19-11-3,33-20-12-4)40-39(38-28-26-25-27-29-38)41-43(34-21-13-5,35-22-14-6,36-23-15-7)37-24-16-8/h25-29H,9-24,30-37H2,1-8H3
InChIKeyFXURTRZJSFPIHV-UHFFFAOYSA-N
XLogP12.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.79
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-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

tris[butyl(triphenyl)-λ5-phosphanyl] borate
CID 141029383
[benzyl-(tetrabutyl-λ5-phosphanyl)oxyphosphanyl]oxy-tetrabutyl-λ5-phosphane
CID 139962612
dibutyl-dihydroxy-phenoxy-λ5-phosphane
CID 141047661
dibromo-butyl-diphenyl-λ5-phosphane
CID 134984074
(tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate
CID 66763828
fluorobenzene;hexane
CID 158112243
methoxymethane;naphthalene;pentane
CID 91431163
butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane
CID 174625067
cycloheptyloxy-ethoxy-phenylborane
CID 140751556
butyl-diiodo-phenoxysilane
CID 140745005
trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
4,6-bis[(tetrabutyl-λ5-phosphanyl)oxycarbonyl]benzene-1,3-dicarboxylic acid
CID 155760375

Frequently Asked Questions

What is the IUPAC name of tetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane?
The IUPAC name of tetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane (CID 141003797) is tetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane.
What is the SMILES notation for tetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane?
The canonical SMILES for tetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane is CCCCP(CCCC)(CCCC)(CCCC)OB(OP(CCCC)(CCCC)(CCCC)CCCC)c1ccccc1.
What is the InChIKey of tetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane?
The InChIKey is FXURTRZJSFPIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H77BO2P2/c1-9-17-30-42(31-18-10-2,32-19-11-3,33-20-12-4)40-39(38-28-26-25-27-29-38)41-43(34-21-13-5,35-22-14-6,36-23-15-7)37-24-16-8/h25-29H,9-24,30-37H2,1-8H3.
What are the key properties of tetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane?
tetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane has a molecular weight of 638.79 g/mol, XLogP of 12.75, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane is sourced from PubChem (CID 141003797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).