trimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane

C24H30N3O3Si+ — CID 58177708

IUPACtrimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane
SMILESCO[Si](CCC[n+]1ccc(/C=C/c2ccnc(-c3cc(C)ccn3)c2)cc1)(OC)OC
InChIInChI=1S/C24H30N3O3Si/c1-20-8-12-25-23(18-20)24-19-22(9-13-26-24)7-6-21-10-15-27(16-11-21)14-5-17-31(28-2,29-3)30-4/h6-13,15-16,18-19H,5,14,17H2,1-4H3/q+1/b7-6+
InChIKeyIHELWVWTRXSJQC-VOTSOKGWSA-N
MW436.61 g/mol
LogP4.18
Rot. Bonds10

About trimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane

trimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane (PubChem CID 58177708) has the molecular formula C24H30N3O3Si+ and a molecular weight of 436.61 g/mol. Its IUPAC name is trimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane
PubChem CID58177708
Molecular FormulaC24H30N3O3Si+
Molecular Weight436.61 g/mol
Exact Mass436.21
IUPAC Nametrimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane
SMILESCO[Si](CCC[n+]1ccc(/C=C/c2ccnc(-c3cc(C)ccn3)c2)cc1)(OC)OC
InChIInChI=1S/C24H30N3O3Si/c1-20-8-12-25-23(18-20)24-19-22(9-13-26-24)7-6-21-10-15-27(16-11-21)14-5-17-31(28-2,29-3)30-4/h6-13,15-16,18-19H,5,14,17H2,1-4H3/q+1/b7-6+
InChIKeyIHELWVWTRXSJQC-VOTSOKGWSA-N
XLogP4.18
TPSA57.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.61
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze trimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane with MolForge

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Launch Full Analysis

Related Compounds

trimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane
CID 102197585
2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59005134
2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine
CID 102322507
2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine
CID 101461246
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-methyl-2-pyridinyl)pyridin-1-ium-1-yl]ethanamine
CID 23787835
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890
2-[4-[(E)-2-(3-methylphenyl)ethenyl]-2-(4-methyl-2-pyridinyl)pyridin-1-ium-1-yl]ethanamine
CID 23845280
tris(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734955
[4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 123271905
[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 90239033
4-(2-pyridin-4-ylethenyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]-2-pyridinyl]pyridine
CID 154284100
4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane?
The IUPAC name of trimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane (CID 58177708) is trimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane.
What is the SMILES notation for trimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane?
The canonical SMILES for trimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane is CO[Si](CCC[n+]1ccc(/C=C/c2ccnc(-c3cc(C)ccn3)c2)cc1)(OC)OC.
What is the InChIKey of trimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane?
The InChIKey is IHELWVWTRXSJQC-VOTSOKGWSA-N. The full InChI is InChI=1S/C24H30N3O3Si/c1-20-8-12-25-23(18-20)24-19-22(9-13-26-24)7-6-21-10-15-27(16-11-21)14-5-17-31(28-2,29-3)30-4/h6-13,15-16,18-19H,5,14,17H2,1-4H3/q+1/b7-6+.
What are the key properties of trimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane?
trimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane has a molecular weight of 436.61 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane is sourced from PubChem (CID 58177708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).