1-diphenylphosphoryl-2-diphenylphosphoryloxybenzene

C30H24O3P2 — CID 71676186

IUPAC1-diphenylphosphoryl-2-diphenylphosphoryloxybenzene
SMILESO=P(Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24O3P2/c31-34(25-15-5-1-6-16-25,26-17-7-2-8-18-26)30-24-14-13-23-29(30)33-35(32,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H
InChIKeyJLOZSNQFWRLNDR-UHFFFAOYSA-N
MW494.47 g/mol
LogP5.63
Rot. Bonds7

About 1-diphenylphosphoryl-2-diphenylphosphoryloxybenzene

1-diphenylphosphoryl-2-diphenylphosphoryloxybenzene (PubChem CID 71676186) has the molecular formula C30H24O3P2 and a molecular weight of 494.47 g/mol. Its IUPAC name is 1-diphenylphosphoryl-2-diphenylphosphoryloxybenzene.

Molecular Properties

Compound Name1-diphenylphosphoryl-2-diphenylphosphoryloxybenzene
PubChem CID71676186
Molecular FormulaC30H24O3P2
Molecular Weight494.47 g/mol
Exact Mass494.12
IUPAC Name1-diphenylphosphoryl-2-diphenylphosphoryloxybenzene
SMILESO=P(Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24O3P2/c31-34(25-15-5-1-6-16-25,26-17-7-2-8-18-26)30-24-14-13-23-29(30)33-35(32,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H
InChIKeyJLOZSNQFWRLNDR-UHFFFAOYSA-N
XLogP5.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.47
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-2-diphenylphosphoryloxybenzene?
The IUPAC name of 1-diphenylphosphoryl-2-diphenylphosphoryloxybenzene (CID 71676186) is 1-diphenylphosphoryl-2-diphenylphosphoryloxybenzene.
What is the SMILES notation for 1-diphenylphosphoryl-2-diphenylphosphoryloxybenzene?
The canonical SMILES for 1-diphenylphosphoryl-2-diphenylphosphoryloxybenzene is O=P(Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphoryl-2-diphenylphosphoryloxybenzene?
The InChIKey is JLOZSNQFWRLNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O3P2/c31-34(25-15-5-1-6-16-25,26-17-7-2-8-18-26)30-24-14-13-23-29(30)33-35(32,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H.
What are the key properties of 1-diphenylphosphoryl-2-diphenylphosphoryloxybenzene?
1-diphenylphosphoryl-2-diphenylphosphoryloxybenzene has a molecular weight of 494.47 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-2-diphenylphosphoryloxybenzene is sourced from PubChem (CID 71676186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).