(2,4-dibenzylphenyl) diphenyl phosphate

C32H27O4P — CID 19814552

IUPAC(2,4-dibenzylphenyl) diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(Cc2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C32H27O4P/c33-37(34-30-17-9-3-10-18-30,35-31-19-11-4-12-20-31)36-32-22-21-28(23-26-13-5-1-6-14-26)25-29(32)24-27-15-7-2-8-16-27/h1-22,25H,23-24H2
InChIKeyDCLHEKQSCRYRSA-UHFFFAOYSA-N
MW506.54 g/mol
LogP8.51
Rot. Bonds10

About (2,4-dibenzylphenyl) diphenyl phosphate

(2,4-dibenzylphenyl) diphenyl phosphate (PubChem CID 19814552) has the molecular formula C32H27O4P and a molecular weight of 506.54 g/mol. Its IUPAC name is (2,4-dibenzylphenyl) diphenyl phosphate.

Molecular Properties

Compound Name(2,4-dibenzylphenyl) diphenyl phosphate
PubChem CID19814552
Molecular FormulaC32H27O4P
Molecular Weight506.54 g/mol
Exact Mass506.16
IUPAC Name(2,4-dibenzylphenyl) diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(Cc2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C32H27O4P/c33-37(34-30-17-9-3-10-18-30,35-31-19-11-4-12-20-31)36-32-22-21-28(23-26-13-5-1-6-14-26)25-29(32)24-27-15-7-2-8-16-27/h1-22,25H,23-24H2
InChIKeyDCLHEKQSCRYRSA-UHFFFAOYSA-N
XLogP8.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.54
LogP ≤ 58.51
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 (2,4-dibenzylphenyl) diphenyl phosphate?
The IUPAC name of (2,4-dibenzylphenyl) diphenyl phosphate (CID 19814552) is (2,4-dibenzylphenyl) diphenyl phosphate.
What is the SMILES notation for (2,4-dibenzylphenyl) diphenyl phosphate?
The canonical SMILES for (2,4-dibenzylphenyl) diphenyl phosphate is O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(Cc2ccccc2)cc1Cc1ccccc1.
What is the InChIKey of (2,4-dibenzylphenyl) diphenyl phosphate?
The InChIKey is DCLHEKQSCRYRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27O4P/c33-37(34-30-17-9-3-10-18-30,35-31-19-11-4-12-20-31)36-32-22-21-28(23-26-13-5-1-6-14-26)25-29(32)24-27-15-7-2-8-16-27/h1-22,25H,23-24H2.
What are the key properties of (2,4-dibenzylphenyl) diphenyl phosphate?
(2,4-dibenzylphenyl) diphenyl phosphate has a molecular weight of 506.54 g/mol, XLogP of 8.51, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibenzylphenyl) diphenyl phosphate is sourced from PubChem (CID 19814552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).