[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane

C28H34NSi+ — CID 166054514

IUPAC[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane
SMILESCc1c(-c2ccc3cc([Si](C)(C)C)ccc3[n+]2C)cc(C(C)(C)C)c2ccccc12
InChIInChI=1S/C28H34NSi/c1-19-22-11-9-10-12-23(22)25(28(2,3)4)18-24(19)27-15-13-20-17-21(30(6,7)8)14-16-26(20)29(27)5/h9-18H,1-8H3/q+1
InChIKeyFKOBWFSNEJBVSM-UHFFFAOYSA-N
MW412.67 g/mol
LogP6.64
Rot. Bonds2

About [2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane

[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane (PubChem CID 166054514) has the molecular formula C28H34NSi+ and a molecular weight of 412.67 g/mol. Its IUPAC name is [2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane
PubChem CID166054514
Molecular FormulaC28H34NSi+
Molecular Weight412.67 g/mol
Exact Mass412.25
IUPAC Name[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane
SMILESCc1c(-c2ccc3cc([Si](C)(C)C)ccc3[n+]2C)cc(C(C)(C)C)c2ccccc12
InChIInChI=1S/C28H34NSi/c1-19-22-11-9-10-12-23(22)25(28(2,3)4)18-24(19)27-15-13-20-17-21(30(6,7)8)14-16-26(20)29(27)5/h9-18H,1-8H3/q+1
InChIKeyFKOBWFSNEJBVSM-UHFFFAOYSA-N
XLogP6.64
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.67
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-7-yl]carbazole
CID 171458941
5-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-2-methyl-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 156665286
trimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane
CID 164807681
1-methyl-2-(1-methylnaphthalen-2-yl)-6-(trifluoromethyl)quinolin-1-ium
CID 166054761
[9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane
CID 171459370
6-tert-butyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium
CID 170404904
1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium
CID 166054743
2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methyl-5,7-bis(trideuteriomethyl)-4-(3,3,3-trifluoropropyl)quinolin-1-ium
CID 167321052
5-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-2,3,8-tris(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium
CID 170395575
2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium
CID 164756783
9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-2,7-di(propan-2-yl)carbazole
CID 171459115
[9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-3-yl]-trimethylgermane
CID 171459217

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane?
The IUPAC name of [2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane (CID 166054514) is [2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane.
What is the SMILES notation for [2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane?
The canonical SMILES for [2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane is Cc1c(-c2ccc3cc([Si](C)(C)C)ccc3[n+]2C)cc(C(C)(C)C)c2ccccc12.
What is the InChIKey of [2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane?
The InChIKey is FKOBWFSNEJBVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34NSi/c1-19-22-11-9-10-12-23(22)25(28(2,3)4)18-24(19)27-15-13-20-17-21(30(6,7)8)14-16-26(20)29(27)5/h9-18H,1-8H3/q+1.
What are the key properties of [2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane?
[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane has a molecular weight of 412.67 g/mol, XLogP of 6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane is sourced from PubChem (CID 166054514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).