[4-(cyclopentylmethyl)-6-(2,5-dimethyl-4-phenylphenyl)-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane

C29H37NSi — CID 166575824

IUPAC[4-(cyclopentylmethyl)-6-(2,5-dimethyl-4-phenylphenyl)-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane
SMILESC=[N+]1C=C([Si](C)(C)C)C(CC2CCCC2)=C[C-]1c1cc(C)c(-c2ccccc2)cc1C
InChIInChI=1S/C29H37NSi/c1-21-17-27(22(2)16-26(21)24-14-8-7-9-15-24)28-19-25(18-23-12-10-11-13-23)29(20-30(28)3)31(4,5)6/h7-9,14-17,19-20,23H,3,10-13,18H2,1-2,4-6H3
InChIKeyQUTXWDLVKYJPRA-UHFFFAOYSA-N
MW427.71 g/mol
LogP7.85
Rot. Bonds5

About [4-(cyclopentylmethyl)-6-(2,5-dimethyl-4-phenylphenyl)-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane

[4-(cyclopentylmethyl)-6-(2,5-dimethyl-4-phenylphenyl)-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane (PubChem CID 166575824) has the molecular formula C29H37NSi and a molecular weight of 427.71 g/mol. Its IUPAC name is [4-(cyclopentylmethyl)-6-(2,5-dimethyl-4-phenylphenyl)-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-(cyclopentylmethyl)-6-(2,5-dimethyl-4-phenylphenyl)-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane
PubChem CID166575824
Molecular FormulaC29H37NSi
Molecular Weight427.71 g/mol
Exact Mass427.27
IUPAC Name[4-(cyclopentylmethyl)-6-(2,5-dimethyl-4-phenylphenyl)-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane
SMILESC=[N+]1C=C([Si](C)(C)C)C(CC2CCCC2)=C[C-]1c1cc(C)c(-c2ccccc2)cc1C
InChIInChI=1S/C29H37NSi/c1-21-17-27(22(2)16-26(21)24-14-8-7-9-15-24)28-19-25(18-23-12-10-11-13-23)29(20-30(28)3)31(4,5)6/h7-9,14-17,19-20,23H,3,10-13,18H2,1-2,4-6H3
InChIKeyQUTXWDLVKYJPRA-UHFFFAOYSA-N
XLogP7.85
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.71
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[6-(2,4-dimethyl-5-phenylphenyl)-4-methyl-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane
CID 166578341
[4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane
CID 166575435
[4-(cyclopentylmethyl)-1-methanidyl-6-(2-methanidyl-5-methyl-4-phenylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;2-[7-(2,6-dimethyl-4-pyridinyl)-3-methanidyldibenzofuran-2-yl]-1-methanidyl-4-methyl-5-phenylpyridin-1-ium;iridium
CID 166577638
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane
CID 140738962
[5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane
CID 140739408
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155611470
chloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane
CID 146727598
4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine
CID 169039009
CID 87142246
CID 87142246
2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine
CID 66198710
2-[[4-[2,7-dimethyl-9-[4-(oxiran-2-ylmethyl)phenyl]-3-phenylfluoren-9-yl]phenyl]methyl]oxirane
CID 134370833

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethyl)-6-(2,5-dimethyl-4-phenylphenyl)-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane?
The IUPAC name of [4-(cyclopentylmethyl)-6-(2,5-dimethyl-4-phenylphenyl)-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane (CID 166575824) is [4-(cyclopentylmethyl)-6-(2,5-dimethyl-4-phenylphenyl)-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane.
What is the SMILES notation for [4-(cyclopentylmethyl)-6-(2,5-dimethyl-4-phenylphenyl)-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane?
The canonical SMILES for [4-(cyclopentylmethyl)-6-(2,5-dimethyl-4-phenylphenyl)-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane is C=[N+]1C=C([Si](C)(C)C)C(CC2CCCC2)=C[C-]1c1cc(C)c(-c2ccccc2)cc1C.
What is the InChIKey of [4-(cyclopentylmethyl)-6-(2,5-dimethyl-4-phenylphenyl)-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane?
The InChIKey is QUTXWDLVKYJPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37NSi/c1-21-17-27(22(2)16-26(21)24-14-8-7-9-15-24)28-19-25(18-23-12-10-11-13-23)29(20-30(28)3)31(4,5)6/h7-9,14-17,19-20,23H,3,10-13,18H2,1-2,4-6H3.
What are the key properties of [4-(cyclopentylmethyl)-6-(2,5-dimethyl-4-phenylphenyl)-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane?
[4-(cyclopentylmethyl)-6-(2,5-dimethyl-4-phenylphenyl)-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane has a molecular weight of 427.71 g/mol, XLogP of 7.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethyl)-6-(2,5-dimethyl-4-phenylphenyl)-1-methylidenepyridin-1-ium-6-id-3-yl]-trimethylsilane is sourced from PubChem (CID 166575824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).