[4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid

C40H40O7P2Si2 — CID 154167711

IUPAC[4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid
SMILESC[Si](C)(O[Si](C)(C)c1ccc(P(=O)(O)O)c(-c2ccccc2)c1-c1ccccc1)c1ccc(P(=O)(O)O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C40H40O7P2Si2/c1-50(2,35-27-25-33(48(41,42)43)37(29-17-9-5-10-18-29)39(35)31-21-13-7-14-22-31)47-51(3,4)36-28-26-34(49(44,45)46)38(30-19-11-6-12-20-30)40(36)32-23-15-8-16-24-32/h5-28H,1-4H3,(H2,41,42,43)(H2,44,45,46)
InChIKeyILAMLQVLGIRUQQ-UHFFFAOYSA-N
MW750.87 g/mol
LogP7.50
Rot. Bonds10

About [4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid

[4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid (PubChem CID 154167711) has the molecular formula C40H40O7P2Si2 and a molecular weight of 750.87 g/mol. Its IUPAC name is [4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid.

Molecular Properties

Compound Name[4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid
PubChem CID154167711
Molecular FormulaC40H40O7P2Si2
Molecular Weight750.87 g/mol
Exact Mass750.18
IUPAC Name[4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid
SMILESC[Si](C)(O[Si](C)(C)c1ccc(P(=O)(O)O)c(-c2ccccc2)c1-c1ccccc1)c1ccc(P(=O)(O)O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C40H40O7P2Si2/c1-50(2,35-27-25-33(48(41,42)43)37(29-17-9-5-10-18-29)39(35)31-21-13-7-14-22-31)47-51(3,4)36-28-26-34(49(44,45)46)38(30-19-11-6-12-20-30)40(36)32-23-15-8-16-24-32/h5-28H,1-4H3,(H2,41,42,43)(H2,44,45,46)
InChIKeyILAMLQVLGIRUQQ-UHFFFAOYSA-N
XLogP7.50
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.87
LogP ≤ 57.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid?
The IUPAC name of [4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid (CID 154167711) is [4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid.
What is the SMILES notation for [4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid?
The canonical SMILES for [4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid is C[Si](C)(O[Si](C)(C)c1ccc(P(=O)(O)O)c(-c2ccccc2)c1-c1ccccc1)c1ccc(P(=O)(O)O)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of [4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid?
The InChIKey is ILAMLQVLGIRUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40O7P2Si2/c1-50(2,35-27-25-33(48(41,42)43)37(29-17-9-5-10-18-29)39(35)31-21-13-7-14-22-31)47-51(3,4)36-28-26-34(49(44,45)46)38(30-19-11-6-12-20-30)40(36)32-23-15-8-16-24-32/h5-28H,1-4H3,(H2,41,42,43)(H2,44,45,46).
What are the key properties of [4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid?
[4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid has a molecular weight of 750.87 g/mol, XLogP of 7.50, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid is sourced from PubChem (CID 154167711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).