bis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane

C28H36N2O3Si2 — CID 175052083

IUPACbis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane
SMILESC[SiH2]O[Si](C)(C)C.Nc1ccc(Oc2ccccc2)cc1.Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/2C12H11NO.C4H14OSi2/c2*13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-6-5-7(2,3)4/h2*1-9H,13H2;6H2,1-4H3
InChIKeyVRNKZVZSYJOWJB-UHFFFAOYSA-N
MW504.78 g/mol
LogP7.09
Rot. Bonds6

About bis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane

bis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane (PubChem CID 175052083) has the molecular formula C28H36N2O3Si2 and a molecular weight of 504.78 g/mol. Its IUPAC name is bis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane.

Molecular Properties

Compound Namebis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane
PubChem CID175052083
Molecular FormulaC28H36N2O3Si2
Molecular Weight504.78 g/mol
Exact Mass504.23
IUPAC Namebis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane
SMILESC[SiH2]O[Si](C)(C)C.Nc1ccc(Oc2ccccc2)cc1.Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/2C12H11NO.C4H14OSi2/c2*13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-6-5-7(2,3)4/h2*1-9H,13H2;6H2,1-4H3
InChIKeyVRNKZVZSYJOWJB-UHFFFAOYSA-N
XLogP7.09
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.78
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-phenoxyaniline
CID 158390066
3-(4-aminophenoxy)-5-phenoxyaniline
CID 686776
4-(4-aminophenoxy)aniline
CID 161415647
4-N-[4-(4-amino-N-(4-phenoxyphenyl)anilino)phenyl]-4-N-(4-phenoxyphenyl)benzene-1,4-diamine
CID 89202314
4-[3-(4-aminophenoxy)phenoxy]aniline;toluene;hydrochloride
CID 70184053
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338538
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline
CID 102043928
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614

Frequently Asked Questions

What is the IUPAC name of bis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane?
The IUPAC name of bis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane (CID 175052083) is bis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane.
What is the SMILES notation for bis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane?
The canonical SMILES for bis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane is C[SiH2]O[Si](C)(C)C.Nc1ccc(Oc2ccccc2)cc1.Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of bis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane?
The InChIKey is VRNKZVZSYJOWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11NO.C4H14OSi2/c2*13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-6-5-7(2,3)4/h2*1-9H,13H2;6H2,1-4H3.
What are the key properties of bis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane?
bis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane has a molecular weight of 504.78 g/mol, XLogP of 7.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane is sourced from PubChem (CID 175052083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).