bis(2-phenylphenyl) hydrogen phosphate

C24H19O4P — CID 18515472

IUPACbis(2-phenylphenyl) hydrogen phosphate
SMILESO=P(O)(Oc1ccccc1-c1ccccc1)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C24H19O4P/c25-29(26,27-23-17-9-7-15-21(23)19-11-3-1-4-12-19)28-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H,25,26)
InChIKeyCMSLHAODHVYDTG-UHFFFAOYSA-N
MW402.39 g/mol
LogP6.58
Rot. Bonds6

About bis(2-phenylphenyl) hydrogen phosphate

bis(2-phenylphenyl) hydrogen phosphate (PubChem CID 18515472) has the molecular formula C24H19O4P and a molecular weight of 402.39 g/mol. Its IUPAC name is bis(2-phenylphenyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2-phenylphenyl) hydrogen phosphate
PubChem CID18515472
Molecular FormulaC24H19O4P
Molecular Weight402.39 g/mol
Exact Mass402.10
IUPAC Namebis(2-phenylphenyl) hydrogen phosphate
SMILESO=P(O)(Oc1ccccc1-c1ccccc1)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C24H19O4P/c25-29(26,27-23-17-9-7-15-21(23)19-11-3-1-4-12-19)28-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H,25,26)
InChIKeyCMSLHAODHVYDTG-UHFFFAOYSA-N
XLogP6.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.39
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(2-phenylphenyl) hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-phenylphenyl) hydrogen phosphate?
The IUPAC name of bis(2-phenylphenyl) hydrogen phosphate (CID 18515472) is bis(2-phenylphenyl) hydrogen phosphate.
What is the SMILES notation for bis(2-phenylphenyl) hydrogen phosphate?
The canonical SMILES for bis(2-phenylphenyl) hydrogen phosphate is O=P(O)(Oc1ccccc1-c1ccccc1)Oc1ccccc1-c1ccccc1.
What is the InChIKey of bis(2-phenylphenyl) hydrogen phosphate?
The InChIKey is CMSLHAODHVYDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19O4P/c25-29(26,27-23-17-9-7-15-21(23)19-11-3-1-4-12-19)28-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H,25,26).
What are the key properties of bis(2-phenylphenyl) hydrogen phosphate?
bis(2-phenylphenyl) hydrogen phosphate has a molecular weight of 402.39 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-phenylphenyl) hydrogen phosphate is sourced from PubChem (CID 18515472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).