4-methyl-2-(quinolin-8-yliminomethyl)-6-triphenylsilylphenol

C35H28N2OSi — CID 136738388

IUPAC4-methyl-2-(quinolin-8-yliminomethyl)-6-triphenylsilylphenol
SMILESCc1cc(/C=N/c2cccc3cccnc23)c(O)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C35H28N2OSi/c1-26-23-28(25-37-32-21-11-13-27-14-12-22-36-34(27)32)35(38)33(24-26)39(29-15-5-2-6-16-29,30-17-7-3-8-18-30)31-19-9-4-10-20-31/h2-25,38H,1H3/b37-25+
InChIKeyBKOGWPPDWQTEIR-AUGOTPMTSA-N
MW520.71 g/mol
LogP5.38
Rot. Bonds6

About 4-methyl-2-(quinolin-8-yliminomethyl)-6-triphenylsilylphenol

4-methyl-2-(quinolin-8-yliminomethyl)-6-triphenylsilylphenol (PubChem CID 136738388) has the molecular formula C35H28N2OSi and a molecular weight of 520.71 g/mol. Its IUPAC name is 4-methyl-2-(quinolin-8-yliminomethyl)-6-triphenylsilylphenol.

Molecular Properties

Compound Name4-methyl-2-(quinolin-8-yliminomethyl)-6-triphenylsilylphenol
PubChem CID136738388
Molecular FormulaC35H28N2OSi
Molecular Weight520.71 g/mol
Exact Mass520.20
IUPAC Name4-methyl-2-(quinolin-8-yliminomethyl)-6-triphenylsilylphenol
SMILESCc1cc(/C=N/c2cccc3cccnc23)c(O)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C35H28N2OSi/c1-26-23-28(25-37-32-21-11-13-27-14-12-22-36-34(27)32)35(38)33(24-26)39(29-15-5-2-6-16-29,30-17-7-3-8-18-30)31-19-9-4-10-20-31/h2-25,38H,1H3/b37-25+
InChIKeyBKOGWPPDWQTEIR-AUGOTPMTSA-N
XLogP5.38
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.71
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(quinolin-8-yliminomethyl)-6-triphenylsilylphenol?
The IUPAC name of 4-methyl-2-(quinolin-8-yliminomethyl)-6-triphenylsilylphenol (CID 136738388) is 4-methyl-2-(quinolin-8-yliminomethyl)-6-triphenylsilylphenol.
What is the SMILES notation for 4-methyl-2-(quinolin-8-yliminomethyl)-6-triphenylsilylphenol?
The canonical SMILES for 4-methyl-2-(quinolin-8-yliminomethyl)-6-triphenylsilylphenol is Cc1cc(/C=N/c2cccc3cccnc23)c(O)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 4-methyl-2-(quinolin-8-yliminomethyl)-6-triphenylsilylphenol?
The InChIKey is BKOGWPPDWQTEIR-AUGOTPMTSA-N. The full InChI is InChI=1S/C35H28N2OSi/c1-26-23-28(25-37-32-21-11-13-27-14-12-22-36-34(27)32)35(38)33(24-26)39(29-15-5-2-6-16-29,30-17-7-3-8-18-30)31-19-9-4-10-20-31/h2-25,38H,1H3/b37-25+.
What are the key properties of 4-methyl-2-(quinolin-8-yliminomethyl)-6-triphenylsilylphenol?
4-methyl-2-(quinolin-8-yliminomethyl)-6-triphenylsilylphenol has a molecular weight of 520.71 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(quinolin-8-yliminomethyl)-6-triphenylsilylphenol is sourced from PubChem (CID 136738388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).