tribenzhydryl phosphate

C39H33O4P — CID 10952115

IUPACtribenzhydryl phosphate
SMILESO=P(OC(c1ccccc1)c1ccccc1)(OC(c1ccccc1)c1ccccc1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H33O4P/c40-44(41-37(31-19-7-1-8-20-31)32-21-9-2-10-22-32,42-38(33-23-11-3-12-24-33)34-25-13-4-14-26-34)43-39(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37-39H
InChIKeyBJAUGLBBOPPSSE-UHFFFAOYSA-N
MW596.66 g/mol
LogP10.51
Rot. Bonds12

About tribenzhydryl phosphate

tribenzhydryl phosphate (PubChem CID 10952115) has the molecular formula C39H33O4P and a molecular weight of 596.66 g/mol. Its IUPAC name is tribenzhydryl phosphate.

Molecular Properties

Compound Nametribenzhydryl phosphate
PubChem CID10952115
Molecular FormulaC39H33O4P
Molecular Weight596.66 g/mol
Exact Mass596.21
IUPAC Nametribenzhydryl phosphate
SMILESO=P(OC(c1ccccc1)c1ccccc1)(OC(c1ccccc1)c1ccccc1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H33O4P/c40-44(41-37(31-19-7-1-8-20-31)32-21-9-2-10-22-32,42-38(33-23-11-3-12-24-33)34-25-13-4-14-26-34)43-39(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37-39H
InChIKeyBJAUGLBBOPPSSE-UHFFFAOYSA-N
XLogP10.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.66
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tribenzhydryl phosphate?
The IUPAC name of tribenzhydryl phosphate (CID 10952115) is tribenzhydryl phosphate.
What is the SMILES notation for tribenzhydryl phosphate?
The canonical SMILES for tribenzhydryl phosphate is O=P(OC(c1ccccc1)c1ccccc1)(OC(c1ccccc1)c1ccccc1)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of tribenzhydryl phosphate?
The InChIKey is BJAUGLBBOPPSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33O4P/c40-44(41-37(31-19-7-1-8-20-31)32-21-9-2-10-22-32,42-38(33-23-11-3-12-24-33)34-25-13-4-14-26-34)43-39(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37-39H.
What are the key properties of tribenzhydryl phosphate?
tribenzhydryl phosphate has a molecular weight of 596.66 g/mol, XLogP of 10.51, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzhydryl phosphate is sourced from PubChem (CID 10952115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).