[benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane

C55H47BO2P2 — CID 140982083

IUPAC[benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane
SMILESc1ccc(CB(OP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)OP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C55H47BO2P2/c1-10-28-47(29-11-1)46-56(57-59(48-30-12-2-13-31-48,49-32-14-3-15-33-49,50-34-16-4-17-35-50)51-36-18-5-19-37-51)58-60(52-38-20-6-21-39-52,53-40-22-7-23-41-53,54-42-24-8-25-43-54)55-44-26-9-27-45-55/h1-45H,46H2
InChIKeyJXBAFQUREINCPK-UHFFFAOYSA-N
MW812.74 g/mol
LogP9.83
Rot. Bonds14

About [benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane

[benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane (PubChem CID 140982083) has the molecular formula C55H47BO2P2 and a molecular weight of 812.74 g/mol. Its IUPAC name is [benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane.

Molecular Properties

Compound Name[benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane
PubChem CID140982083
Molecular FormulaC55H47BO2P2
Molecular Weight812.74 g/mol
Exact Mass812.31
IUPAC Name[benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane
SMILESc1ccc(CB(OP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)OP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C55H47BO2P2/c1-10-28-47(29-11-1)46-56(57-59(48-30-12-2-13-31-48,49-32-14-3-15-33-49,50-34-16-4-17-35-50)51-36-18-5-19-37-51)58-60(52-38-20-6-21-39-52,53-40-22-7-23-41-53,54-42-24-8-25-43-54)55-44-26-9-27-45-55/h1-45H,46H2
InChIKeyJXBAFQUREINCPK-UHFFFAOYSA-N
XLogP9.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.74
LogP ≤ 59.83
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'}

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Related Compounds

(tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate
CID 139767697
dibenzyl(methoxy)borane
CID 86227149
benzyl-bis(trifluoromethyl)borane
CID 101101375
tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane
CID 175110521
phenoxy(tetraphenyl)-λ5-phosphane;hydrobromide
CID 173280486
bis[(tetrabenzyl-λ5-phosphanyl)oxy]borinic acid
CID 141047389
benzyl-chloro-triphenyl-lambda5-phosphane
CID 631738
(tetraphenyl-λ5-phosphanyl) chlorate
CID 88762177
phenylmethoxyalumane
CID 153167769
benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide
CID 174822547
benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride
CID 173254965
benzyl bis(tetramethyl-λ5-phosphanyl) borate
CID 139962615

Frequently Asked Questions

What is the IUPAC name of [benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane?
The IUPAC name of [benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane (CID 140982083) is [benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane.
What is the SMILES notation for [benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane?
The canonical SMILES for [benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane is c1ccc(CB(OP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)OP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane?
The InChIKey is JXBAFQUREINCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47BO2P2/c1-10-28-47(29-11-1)46-56(57-59(48-30-12-2-13-31-48,49-32-14-3-15-33-49,50-34-16-4-17-35-50)51-36-18-5-19-37-51)58-60(52-38-20-6-21-39-52,53-40-22-7-23-41-53,54-42-24-8-25-43-54)55-44-26-9-27-45-55/h1-45H,46H2.
What are the key properties of [benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane?
[benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane has a molecular weight of 812.74 g/mol, XLogP of 9.83, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane is sourced from PubChem (CID 140982083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).