[4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate

C36H28O8P2 — CID 87386590

IUPAC[4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)Oc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(O)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C36H28O8P2/c37-36-34(27-17-9-3-10-18-27)32(25-13-5-1-6-14-25)31(29-21-23-30(24-22-29)43-46(41,42)44-45(38,39)40)33(26-15-7-2-8-16-26)35(36)28-19-11-4-12-20-28/h1-24,37H,(H,41,42)(H2,38,39,40)
InChIKeyOLVMLSYRXLORLU-UHFFFAOYSA-N
MW650.56 g/mol
LogP9.32
Rot. Bonds9

About [4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate

[4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate (PubChem CID 87386590) has the molecular formula C36H28O8P2 and a molecular weight of 650.56 g/mol. Its IUPAC name is [4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate.

Molecular Properties

Compound Name[4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate
PubChem CID87386590
Molecular FormulaC36H28O8P2
Molecular Weight650.56 g/mol
Exact Mass650.13
IUPAC Name[4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)Oc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(O)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C36H28O8P2/c37-36-34(27-17-9-3-10-18-27)32(25-13-5-1-6-14-25)31(29-21-23-30(24-22-29)43-46(41,42)44-45(38,39)40)33(26-15-7-2-8-16-26)35(36)28-19-11-4-12-20-28/h1-24,37H,(H,41,42)(H2,38,39,40)
InChIKeyOLVMLSYRXLORLU-UHFFFAOYSA-N
XLogP9.32
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.56
LogP ≤ 59.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate?
The IUPAC name of [4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate (CID 87386590) is [4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate.
What is the SMILES notation for [4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate?
The canonical SMILES for [4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate is O=P(O)(O)OP(=O)(O)Oc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(O)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of [4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate?
The InChIKey is OLVMLSYRXLORLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28O8P2/c37-36-34(27-17-9-3-10-18-27)32(25-13-5-1-6-14-25)31(29-21-23-30(24-22-29)43-46(41,42)44-45(38,39)40)33(26-15-7-2-8-16-26)35(36)28-19-11-4-12-20-28/h1-24,37H,(H,41,42)(H2,38,39,40).
What are the key properties of [4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate?
[4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate has a molecular weight of 650.56 g/mol, XLogP of 9.32, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate is sourced from PubChem (CID 87386590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).