4-[phenyl(triphenylsilyloxy)silyl]aniline

C30H27NOSi2 — CID 150589577

IUPAC4-[phenyl(triphenylsilyloxy)silyl]aniline
SMILESNc1ccc([SiH](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H27NOSi2/c31-25-21-23-27(24-22-25)33(26-13-5-1-6-14-26)32-34(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24,33H,31H2
InChIKeyIPOUFCKVVPXIAV-UHFFFAOYSA-N
MW473.72 g/mol
LogP2.79
Rot. Bonds7

About 4-[phenyl(triphenylsilyloxy)silyl]aniline

4-[phenyl(triphenylsilyloxy)silyl]aniline (PubChem CID 150589577) has the molecular formula C30H27NOSi2 and a molecular weight of 473.72 g/mol. Its IUPAC name is 4-[phenyl(triphenylsilyloxy)silyl]aniline.

Molecular Properties

Compound Name4-[phenyl(triphenylsilyloxy)silyl]aniline
PubChem CID150589577
Molecular FormulaC30H27NOSi2
Molecular Weight473.72 g/mol
Exact Mass473.16
IUPAC Name4-[phenyl(triphenylsilyloxy)silyl]aniline
SMILESNc1ccc([SiH](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H27NOSi2/c31-25-21-23-27(24-22-25)33(26-13-5-1-6-14-26)32-34(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24,33H,31H2
InChIKeyIPOUFCKVVPXIAV-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.72
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

diphenylsilyloxy-diphenyl-triphenylsilyloxysilane
CID 154117908
[chloro(phenyl)silyl]oxy-triphenylsilane
CID 154343045
4-(4-triphenylsilylphenyl)aniline
CID 140709059
tris[[methyl(phenyl)silyl]oxy]-phenylsilane
CID 153174027
triphenyl-(4-triphenylsilyloxyphenoxy)silane
CID 86209033
triphenyl-(2-triphenylsilyloxyphenoxy)silane
CID 154164167
triphenyl(silyloxy)silane
CID 123924949
diphenylsilyl-methyl-diphenylsilane
CID 174081177
aniline;niobium
CID 161015220
aniline;mercury(2+)
CID 23616182
aniline;azane
CID 171780637
aniline;mercury
CID 54604260

Frequently Asked Questions

What is the IUPAC name of 4-[phenyl(triphenylsilyloxy)silyl]aniline?
The IUPAC name of 4-[phenyl(triphenylsilyloxy)silyl]aniline (CID 150589577) is 4-[phenyl(triphenylsilyloxy)silyl]aniline.
What is the SMILES notation for 4-[phenyl(triphenylsilyloxy)silyl]aniline?
The canonical SMILES for 4-[phenyl(triphenylsilyloxy)silyl]aniline is Nc1ccc([SiH](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[phenyl(triphenylsilyloxy)silyl]aniline?
The InChIKey is IPOUFCKVVPXIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NOSi2/c31-25-21-23-27(24-22-25)33(26-13-5-1-6-14-26)32-34(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24,33H,31H2.
What are the key properties of 4-[phenyl(triphenylsilyloxy)silyl]aniline?
4-[phenyl(triphenylsilyloxy)silyl]aniline has a molecular weight of 473.72 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[phenyl(triphenylsilyloxy)silyl]aniline is sourced from PubChem (CID 150589577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).