4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline

C36H30N2O2Si — CID 154091218

IUPAC4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline
SMILESc1ccc(Nc2ccc(O[Si](Oc3ccc(Nc4ccccc4)cc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C36H30N2O2Si/c1-5-13-29(14-6-1)37-31-21-25-33(26-22-31)39-41(35-17-9-3-10-18-35,36-19-11-4-12-20-36)40-34-27-23-32(24-28-34)38-30-15-7-2-8-16-30/h1-28,37-38H
InChIKeyCRFUTNMZLDHCOM-UHFFFAOYSA-N
MW550.73 g/mol
LogP7.89
Rot. Bonds10

About 4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline

4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline (PubChem CID 154091218) has the molecular formula C36H30N2O2Si and a molecular weight of 550.73 g/mol. Its IUPAC name is 4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline.

Molecular Properties

Compound Name4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline
PubChem CID154091218
Molecular FormulaC36H30N2O2Si
Molecular Weight550.73 g/mol
Exact Mass550.21
IUPAC Name4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline
SMILESc1ccc(Nc2ccc(O[Si](Oc3ccc(Nc4ccccc4)cc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C36H30N2O2Si/c1-5-13-29(14-6-1)37-31-21-25-33(26-22-31)39-41(35-17-9-3-10-18-35,36-19-11-4-12-20-36)40-34-27-23-32(24-28-34)38-30-15-7-2-8-16-30/h1-28,37-38H
InChIKeyCRFUTNMZLDHCOM-UHFFFAOYSA-N
XLogP7.89
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.73
LogP ≤ 57.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline?
The IUPAC name of 4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline (CID 154091218) is 4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline.
What is the SMILES notation for 4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline?
The canonical SMILES for 4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline is c1ccc(Nc2ccc(O[Si](Oc3ccc(Nc4ccccc4)cc3)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline?
The InChIKey is CRFUTNMZLDHCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2O2Si/c1-5-13-29(14-6-1)37-31-21-25-33(26-22-31)39-41(35-17-9-3-10-18-35,36-19-11-4-12-20-36)40-34-27-23-32(24-28-34)38-30-15-7-2-8-16-30/h1-28,37-38H.
What are the key properties of 4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline?
4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline has a molecular weight of 550.73 g/mol, XLogP of 7.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline is sourced from PubChem (CID 154091218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).