3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline

C26H33NOSi — CID 67965010

IUPAC3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline
SMILESCCC(C)[Si](O)(c1cccc(N(c2ccccc2)c2ccccc2)c1)C(C)CC
InChIInChI=1S/C26H33NOSi/c1-5-21(3)29(28,22(4)6-2)26-19-13-18-25(20-26)27(23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-22,28H,5-6H2,1-4H3
InChIKeySGUIHHYFMUJWOA-UHFFFAOYSA-N
MW403.64 g/mol
LogP6.90
Rot. Bonds8

About 3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline

3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline (PubChem CID 67965010) has the molecular formula C26H33NOSi and a molecular weight of 403.64 g/mol. Its IUPAC name is 3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline
PubChem CID67965010
Molecular FormulaC26H33NOSi
Molecular Weight403.64 g/mol
Exact Mass403.23
IUPAC Name3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline
SMILESCCC(C)[Si](O)(c1cccc(N(c2ccccc2)c2ccccc2)c1)C(C)CC
InChIInChI=1S/C26H33NOSi/c1-5-21(3)29(28,22(4)6-2)26-19-13-18-25(20-26)27(23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-22,28H,5-6H2,1-4H3
InChIKeySGUIHHYFMUJWOA-UHFFFAOYSA-N
XLogP6.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.64
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline?
The IUPAC name of 3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline (CID 67965010) is 3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline.
What is the SMILES notation for 3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline?
The canonical SMILES for 3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline is CCC(C)[Si](O)(c1cccc(N(c2ccccc2)c2ccccc2)c1)C(C)CC.
What is the InChIKey of 3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline?
The InChIKey is SGUIHHYFMUJWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NOSi/c1-5-21(3)29(28,22(4)6-2)26-19-13-18-25(20-26)27(23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-22,28H,5-6H2,1-4H3.
What are the key properties of 3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline?
3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline has a molecular weight of 403.64 g/mol, XLogP of 6.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline is sourced from PubChem (CID 67965010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).