(4-diphenoxyphosphoryloxyphenyl) diphenyl phosphate

C30H24O8P2 — CID 6611235

IUPAC(4-diphenoxyphosphoryloxyphenyl) diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C30H24O8P2/c31-39(33-25-13-5-1-6-14-25,34-26-15-7-2-8-16-26)37-29-21-23-30(24-22-29)38-40(32,35-27-17-9-3-10-18-27)36-28-19-11-4-12-20-28/h1-24H
InChIKeyRECLNCPBBUHRDY-UHFFFAOYSA-N
MW574.46 g/mol
LogP8.98
Rot. Bonds12

About (4-diphenoxyphosphoryloxyphenyl) diphenyl phosphate

(4-diphenoxyphosphoryloxyphenyl) diphenyl phosphate (PubChem CID 6611235) has the molecular formula C30H24O8P2 and a molecular weight of 574.46 g/mol. Its IUPAC name is (4-diphenoxyphosphoryloxyphenyl) diphenyl phosphate.

Molecular Properties

Compound Name(4-diphenoxyphosphoryloxyphenyl) diphenyl phosphate
PubChem CID6611235
Molecular FormulaC30H24O8P2
Molecular Weight574.46 g/mol
Exact Mass574.09
IUPAC Name(4-diphenoxyphosphoryloxyphenyl) diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C30H24O8P2/c31-39(33-25-13-5-1-6-14-25,34-26-15-7-2-8-16-26)37-29-21-23-30(24-22-29)38-40(32,35-27-17-9-3-10-18-27)36-28-19-11-4-12-20-28/h1-24H
InChIKeyRECLNCPBBUHRDY-UHFFFAOYSA-N
XLogP8.98
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.46
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-diphenoxyphosphoryloxyphenyl) diphenyl phosphate?
The IUPAC name of (4-diphenoxyphosphoryloxyphenyl) diphenyl phosphate (CID 6611235) is (4-diphenoxyphosphoryloxyphenyl) diphenyl phosphate.
What is the SMILES notation for (4-diphenoxyphosphoryloxyphenyl) diphenyl phosphate?
The canonical SMILES for (4-diphenoxyphosphoryloxyphenyl) diphenyl phosphate is O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of (4-diphenoxyphosphoryloxyphenyl) diphenyl phosphate?
The InChIKey is RECLNCPBBUHRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O8P2/c31-39(33-25-13-5-1-6-14-25,34-26-15-7-2-8-16-26)37-29-21-23-30(24-22-29)38-40(32,35-27-17-9-3-10-18-27)36-28-19-11-4-12-20-28/h1-24H.
What are the key properties of (4-diphenoxyphosphoryloxyphenyl) diphenyl phosphate?
(4-diphenoxyphosphoryloxyphenyl) diphenyl phosphate has a molecular weight of 574.46 g/mol, XLogP of 8.98, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-diphenoxyphosphoryloxyphenyl) diphenyl phosphate is sourced from PubChem (CID 6611235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).