(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate

C30H24O7P2 — CID 126496961

IUPAC(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C30H24O7P2/c31-39(35-28-17-9-3-10-18-28,36-29-19-11-4-12-20-29)37-30-23-21-27(22-24-30)34-38(32-25-13-5-1-6-14-25)33-26-15-7-2-8-16-26/h1-24H
InChIKeyNRNVTZSIGKZCLZ-UHFFFAOYSA-N
MW558.46 g/mol
LogP9.10
Rot. Bonds12

About (4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate

(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate (PubChem CID 126496961) has the molecular formula C30H24O7P2 and a molecular weight of 558.46 g/mol. Its IUPAC name is (4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate.

Molecular Properties

Compound Name(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
PubChem CID126496961
Molecular FormulaC30H24O7P2
Molecular Weight558.46 g/mol
Exact Mass558.10
IUPAC Name(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C30H24O7P2/c31-39(35-28-17-9-3-10-18-28,36-29-19-11-4-12-20-29)37-30-23-21-27(22-24-30)34-38(32-25-13-5-1-6-14-25)33-26-15-7-2-8-16-26/h1-24H
InChIKeyNRNVTZSIGKZCLZ-UHFFFAOYSA-N
XLogP9.10
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.46
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
CID 166967695
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
triphenyl phosphate;hydrate
CID 66881958
tris(4-phenoxyphenyl) phosphate
CID 70576220
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
diphenyl silyl phosphate
CID 71371486
CID 175741196
CID 175741196
2-methylpropane;triphenyl phosphate
CID 91193965
[4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium
CID 59104469
nickel(2+);nitroxyl anion;bis(triphenyl phosphite);bromide
CID 173453911

Frequently Asked Questions

What is the IUPAC name of (4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate?
The IUPAC name of (4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate (CID 126496961) is (4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate.
What is the SMILES notation for (4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate?
The canonical SMILES for (4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate is O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of (4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate?
The InChIKey is NRNVTZSIGKZCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O7P2/c31-39(35-28-17-9-3-10-18-28,36-29-19-11-4-12-20-29)37-30-23-21-27(22-24-30)34-38(32-25-13-5-1-6-14-25)33-26-15-7-2-8-16-26/h1-24H.
What are the key properties of (4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate?
(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate has a molecular weight of 558.46 g/mol, XLogP of 9.10, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate is sourced from PubChem (CID 126496961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).