tetraphenyl-[phenyl-(tetraphenyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane

C54H45O3P3 — CID 139896867

IUPACtetraphenyl-[phenyl-(tetraphenyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane
SMILESO=P(OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)(OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C54H45O3P3/c55-58(46-28-10-1-11-29-46,56-59(47-30-12-2-13-31-47,48-32-14-3-15-33-48,49-34-16-4-17-35-49)50-36-18-5-19-37-50)57-60(51-38-20-6-21-39-51,52-40-22-7-23-41-52,53-42-24-8-25-43-53)54-44-26-9-27-45-54/h1-45H
InChIKeyOQJCARLQQSVPTQ-UHFFFAOYSA-N
MW834.87 g/mol
LogP10.08
Rot. Bonds13

About tetraphenyl-[phenyl-(tetraphenyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane

tetraphenyl-[phenyl-(tetraphenyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane (PubChem CID 139896867) has the molecular formula C54H45O3P3 and a molecular weight of 834.87 g/mol. Its IUPAC name is tetraphenyl-[phenyl-(tetraphenyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane.

Molecular Properties

Compound Nametetraphenyl-[phenyl-(tetraphenyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane
PubChem CID139896867
Molecular FormulaC54H45O3P3
Molecular Weight834.87 g/mol
Exact Mass834.26
IUPAC Nametetraphenyl-[phenyl-(tetraphenyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane
SMILESO=P(OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)(OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C54H45O3P3/c55-58(46-28-10-1-11-29-46,56-59(47-30-12-2-13-31-47,48-32-14-3-15-33-48,49-34-16-4-17-35-49)50-36-18-5-19-37-50)57-60(51-38-20-6-21-39-51,52-40-22-7-23-41-52,53-42-24-8-25-43-53)54-44-26-9-27-45-54/h1-45H
InChIKeyOQJCARLQQSVPTQ-UHFFFAOYSA-N
XLogP10.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.87
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-[aminooxy(phenyl)phosphoryl]hydroxylamine
CID 70403150
dipropoxyphosphorylbenzene
CID 11736632
(tetraphenyl-λ5-phosphanyl) chlorate
CID 88762177
1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene
CID 87156210
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
diphenylphosphorylbenzene;terbium
CID 86595283
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
calcium;dioxido-oxo-phenyl-λ5-phosphane;hydrate
CID 66599094
1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene
CID 154177622
phenoxy(tetraphenyl)-λ5-phosphane;hydrobromide
CID 173280486
diphenylphosphorylazanide
CID 18705552
[methoxy(phenyl)phosphoryl] methanesulfinate
CID 134992786

Frequently Asked Questions

What is the IUPAC name of tetraphenyl-[phenyl-(tetraphenyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane?
The IUPAC name of tetraphenyl-[phenyl-(tetraphenyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane (CID 139896867) is tetraphenyl-[phenyl-(tetraphenyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane.
What is the SMILES notation for tetraphenyl-[phenyl-(tetraphenyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane?
The canonical SMILES for tetraphenyl-[phenyl-(tetraphenyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane is O=P(OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)(OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of tetraphenyl-[phenyl-(tetraphenyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane?
The InChIKey is OQJCARLQQSVPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45O3P3/c55-58(46-28-10-1-11-29-46,56-59(47-30-12-2-13-31-47,48-32-14-3-15-33-48,49-34-16-4-17-35-49)50-36-18-5-19-37-50)57-60(51-38-20-6-21-39-51,52-40-22-7-23-41-52,53-42-24-8-25-43-53)54-44-26-9-27-45-54/h1-45H.
What are the key properties of tetraphenyl-[phenyl-(tetraphenyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane?
tetraphenyl-[phenyl-(tetraphenyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane has a molecular weight of 834.87 g/mol, XLogP of 10.08, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetraphenyl-[phenyl-(tetraphenyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane is sourced from PubChem (CID 139896867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).