methyl-tris(4-phenylmethoxyphenyl)silane

C40H36O3Si — CID 90283739

IUPACmethyl-tris(4-phenylmethoxyphenyl)silane
SMILESC[Si](c1ccc(OCc2ccccc2)cc1)(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C40H36O3Si/c1-44(38-23-17-35(18-24-38)41-29-32-11-5-2-6-12-32,39-25-19-36(20-26-39)42-30-33-13-7-3-8-14-33)40-27-21-37(22-28-40)43-31-34-15-9-4-10-16-34/h2-28H,29-31H2,1H3
InChIKeyONYYHRUREYLWPA-UHFFFAOYSA-N
MW592.81 g/mol
LogP7.52
Rot. Bonds12

About methyl-tris(4-phenylmethoxyphenyl)silane

methyl-tris(4-phenylmethoxyphenyl)silane (PubChem CID 90283739) has the molecular formula C40H36O3Si and a molecular weight of 592.81 g/mol. Its IUPAC name is methyl-tris(4-phenylmethoxyphenyl)silane.

Molecular Properties

Compound Namemethyl-tris(4-phenylmethoxyphenyl)silane
PubChem CID90283739
Molecular FormulaC40H36O3Si
Molecular Weight592.81 g/mol
Exact Mass592.24
IUPAC Namemethyl-tris(4-phenylmethoxyphenyl)silane
SMILESC[Si](c1ccc(OCc2ccccc2)cc1)(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C40H36O3Si/c1-44(38-23-17-35(18-24-38)41-29-32-11-5-2-6-12-32,39-25-19-36(20-26-39)42-30-33-13-7-3-8-14-33)40-27-21-37(22-28-40)43-31-34-15-9-4-10-16-34/h2-28H,29-31H2,1H3
InChIKeyONYYHRUREYLWPA-UHFFFAOYSA-N
XLogP7.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.81
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylmethoxyphenyl) hypobromite
CID 151898979
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
4-phenylmethoxyaniline
CID 159966727
methyl-(4-phenylmethoxyphenyl)diazene
CID 123516249
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270

Frequently Asked Questions

What is the IUPAC name of methyl-tris(4-phenylmethoxyphenyl)silane?
The IUPAC name of methyl-tris(4-phenylmethoxyphenyl)silane (CID 90283739) is methyl-tris(4-phenylmethoxyphenyl)silane.
What is the SMILES notation for methyl-tris(4-phenylmethoxyphenyl)silane?
The canonical SMILES for methyl-tris(4-phenylmethoxyphenyl)silane is C[Si](c1ccc(OCc2ccccc2)cc1)(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl-tris(4-phenylmethoxyphenyl)silane?
The InChIKey is ONYYHRUREYLWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36O3Si/c1-44(38-23-17-35(18-24-38)41-29-32-11-5-2-6-12-32,39-25-19-36(20-26-39)42-30-33-13-7-3-8-14-33)40-27-21-37(22-28-40)43-31-34-15-9-4-10-16-34/h2-28H,29-31H2,1H3.
What are the key properties of methyl-tris(4-phenylmethoxyphenyl)silane?
methyl-tris(4-phenylmethoxyphenyl)silane has a molecular weight of 592.81 g/mol, XLogP of 7.52, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(4-phenylmethoxyphenyl)silane is sourced from PubChem (CID 90283739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).