3-[3,5-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-ynoxy-triethylsilane

C28H33NO3Si — CID 132544912

IUPAC3-[3,5-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-ynoxy-triethylsilane
SMILESCC[Si](CC)(CC)OCC#Cc1ncc(-c2ccc(OC)cc2)cc1-c1ccc(OC)cc1
InChIInChI=1S/C28H33NO3Si/c1-6-33(7-2,8-3)32-19-9-10-28-27(23-13-17-26(31-5)18-14-23)20-24(21-29-28)22-11-15-25(30-4)16-12-22/h11-18,20-21H,6-8,19H2,1-5H3
InChIKeyPDDNMZJTTLLGNE-UHFFFAOYSA-N
MW459.66 g/mol
LogP6.81
Rot. Bonds9

About 3-[3,5-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-ynoxy-triethylsilane

3-[3,5-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-ynoxy-triethylsilane (PubChem CID 132544912) has the molecular formula C28H33NO3Si and a molecular weight of 459.66 g/mol. Its IUPAC name is 3-[3,5-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-ynoxy-triethylsilane.

Molecular Properties

Compound Name3-[3,5-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-ynoxy-triethylsilane
PubChem CID132544912
Molecular FormulaC28H33NO3Si
Molecular Weight459.66 g/mol
Exact Mass459.22
IUPAC Name3-[3,5-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-ynoxy-triethylsilane
SMILESCC[Si](CC)(CC)OCC#Cc1ncc(-c2ccc(OC)cc2)cc1-c1ccc(OC)cc1
InChIInChI=1S/C28H33NO3Si/c1-6-33(7-2,8-3)32-19-9-10-28-27(23-13-17-26(31-5)18-14-23)20-24(21-29-28)22-11-15-25(30-4)16-12-22/h11-18,20-21H,6-8,19H2,1-5H3
InChIKeyPDDNMZJTTLLGNE-UHFFFAOYSA-N
XLogP6.81
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.66
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,3,5-tris(4-methoxyphenyl)pyridine
CID 10834626
1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
2-fluoro-5-(4-methoxyphenyl)pyridine
CID 26985626
3-(4-methoxyphenyl)-1,8-naphthyridine
CID 132535083
1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene
CID 165353497
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116976946
N,N-diethyl-2-[4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]phenoxy]ethanamine
CID 122184570
2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222794
2-(3-methoxyphenyl)-3,5-diphenylpyridine
CID 57041799
5-(4-chlorophenyl)-2-[2-(4-ethoxyphenyl)ethynyl]-3-fluoropyridine
CID 91807418
2,4-dichloro-5-(4-methoxyphenyl)pyrimidine
CID 19735441

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-ynoxy-triethylsilane?
The IUPAC name of 3-[3,5-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-ynoxy-triethylsilane (CID 132544912) is 3-[3,5-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-ynoxy-triethylsilane.
What is the SMILES notation for 3-[3,5-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-ynoxy-triethylsilane?
The canonical SMILES for 3-[3,5-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-ynoxy-triethylsilane is CC[Si](CC)(CC)OCC#Cc1ncc(-c2ccc(OC)cc2)cc1-c1ccc(OC)cc1.
What is the InChIKey of 3-[3,5-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-ynoxy-triethylsilane?
The InChIKey is PDDNMZJTTLLGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3Si/c1-6-33(7-2,8-3)32-19-9-10-28-27(23-13-17-26(31-5)18-14-23)20-24(21-29-28)22-11-15-25(30-4)16-12-22/h11-18,20-21H,6-8,19H2,1-5H3.
What are the key properties of 3-[3,5-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-ynoxy-triethylsilane?
3-[3,5-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-ynoxy-triethylsilane has a molecular weight of 459.66 g/mol, XLogP of 6.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-ynoxy-triethylsilane is sourced from PubChem (CID 132544912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).