triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane

C29H36NSi+ — CID 166015601

IUPACtriethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane
SMILESCC[Si](CC)(CC)c1ccc2c(ccc3c(-c4cc(C)cc(C)c4C)[n+](C)ccc32)c1
InChIInChI=1S/C29H36NSi/c1-8-31(9-2,10-3)24-12-14-25-23(19-24)11-13-27-26(25)15-16-30(7)29(27)28-18-20(4)17-21(5)22(28)6/h11-19H,8-10H2,1-7H3/q+1
InChIKeyAIPPRTNQYDXQFZ-UHFFFAOYSA-N
MW426.70 g/mol
LogP7.13
Rot. Bonds5

About triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane

triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane (PubChem CID 166015601) has the molecular formula C29H36NSi+ and a molecular weight of 426.70 g/mol. Its IUPAC name is triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane.

Molecular Properties

Compound Nametriethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane
PubChem CID166015601
Molecular FormulaC29H36NSi+
Molecular Weight426.70 g/mol
Exact Mass426.26
IUPAC Nametriethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane
SMILESCC[Si](CC)(CC)c1ccc2c(ccc3c(-c4cc(C)cc(C)c4C)[n+](C)ccc32)c1
InChIInChI=1S/C29H36NSi/c1-8-31(9-2,10-3)24-12-14-25-23(19-24)11-13-27-26(25)15-16-30(7)29(27)28-18-20(4)17-21(5)22(28)6/h11-19H,8-10H2,1-7H3/q+1
InChIKeyAIPPRTNQYDXQFZ-UHFFFAOYSA-N
XLogP7.13
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.70
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane
CID 159231593
2,3,6-trimethyl-4-(2-methyl-6-triethylsilylisoquinolin-2-ium-1-yl)benzonitrile
CID 155638177
cyclopropyl-dimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155637695
[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane
CID 161105923
[1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
CID 155637578
2-methyl-6,7-di(propan-2-yl)-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium
CID 123915658
[1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triethylsilane
CID 155637731
triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155638144
7-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-6-(2,3,5-trimethylphenyl)-[1]benzothiolo[5,4-f]isoquinolin-7-ium
CID 166015632
tert-butyl-[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-diphenylsilane;tert-butyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;tert-butyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane
CID 160584594
2-isocyano-2-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]propanenitrile
CID 166054833
dimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]-pyridin-2-ylsilane;dimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-pyridin-2-ylsilane;[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-pyridin-2-ylsilane
CID 161025655

Frequently Asked Questions

What is the IUPAC name of triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane?
The IUPAC name of triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane (CID 166015601) is triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane.
What is the SMILES notation for triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane?
The canonical SMILES for triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane is CC[Si](CC)(CC)c1ccc2c(ccc3c(-c4cc(C)cc(C)c4C)[n+](C)ccc32)c1.
What is the InChIKey of triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane?
The InChIKey is AIPPRTNQYDXQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36NSi/c1-8-31(9-2,10-3)24-12-14-25-23(19-24)11-13-27-26(25)15-16-30(7)29(27)28-18-20(4)17-21(5)22(28)6/h11-19H,8-10H2,1-7H3/q+1.
What are the key properties of triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane?
triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane has a molecular weight of 426.70 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane is sourced from PubChem (CID 166015601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).