tris(4-phenylphenyl) phosphate

C36H27O4P — CID 520921

IUPACtris(4-phenylphenyl) phosphate
SMILESO=P(Oc1ccc(-c2ccccc2)cc1)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C36H27O4P/c37-41(38-34-22-16-31(17-23-34)28-10-4-1-5-11-28,39-35-24-18-32(19-25-35)29-12-6-2-7-13-29)40-36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H
InChIKeyGXZLXDRFEDHOAU-UHFFFAOYSA-N
MW554.58 g/mol
LogP10.33
Rot. Bonds9

About tris(4-phenylphenyl) phosphate

tris(4-phenylphenyl) phosphate (PubChem CID 520921) has the molecular formula C36H27O4P and a molecular weight of 554.58 g/mol. Its IUPAC name is tris(4-phenylphenyl) phosphate.

Molecular Properties

Compound Nametris(4-phenylphenyl) phosphate
PubChem CID520921
Molecular FormulaC36H27O4P
Molecular Weight554.58 g/mol
Exact Mass554.16
IUPAC Nametris(4-phenylphenyl) phosphate
SMILESO=P(Oc1ccc(-c2ccccc2)cc1)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C36H27O4P/c37-41(38-34-22-16-31(17-23-34)28-10-4-1-5-11-28,39-35-24-18-32(19-25-35)29-12-6-2-7-13-29)40-36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H
InChIKeyGXZLXDRFEDHOAU-UHFFFAOYSA-N
XLogP10.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.58
LogP ≤ 510.33
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 tris(4-phenylphenyl) phosphate?
The IUPAC name of tris(4-phenylphenyl) phosphate (CID 520921) is tris(4-phenylphenyl) phosphate.
What is the SMILES notation for tris(4-phenylphenyl) phosphate?
The canonical SMILES for tris(4-phenylphenyl) phosphate is O=P(Oc1ccc(-c2ccccc2)cc1)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of tris(4-phenylphenyl) phosphate?
The InChIKey is GXZLXDRFEDHOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27O4P/c37-41(38-34-22-16-31(17-23-34)28-10-4-1-5-11-28,39-35-24-18-32(19-25-35)29-12-6-2-7-13-29)40-36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H.
What are the key properties of tris(4-phenylphenyl) phosphate?
tris(4-phenylphenyl) phosphate has a molecular weight of 554.58 g/mol, XLogP of 10.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-phenylphenyl) phosphate is sourced from PubChem (CID 520921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).