[4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane

C28H36N2Si — CID 166576367

IUPAC[4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane
SMILESCc1cc(-c2ccc(-c3cc(CC4CCCCC4)c([Si](C)(C)C)cn3)cc2)cc(C)n1
InChIInChI=1S/C28H36N2Si/c1-20-15-25(16-21(2)30-20)23-11-13-24(14-12-23)27-18-26(17-22-9-7-6-8-10-22)28(19-29-27)31(3,4)5/h11-16,18-19,22H,6-10,17H2,1-5H3
InChIKeyVQAPKBXKXROMSI-UHFFFAOYSA-N
MW428.70 g/mol
LogP7.10
Rot. Bonds5

About [4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane

[4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane (PubChem CID 166576367) has the molecular formula C28H36N2Si and a molecular weight of 428.70 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane
PubChem CID166576367
Molecular FormulaC28H36N2Si
Molecular Weight428.70 g/mol
Exact Mass428.26
IUPAC Name[4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane
SMILESCc1cc(-c2ccc(-c3cc(CC4CCCCC4)c([Si](C)(C)C)cn3)cc2)cc(C)n1
InChIInChI=1S/C28H36N2Si/c1-20-15-25(16-21(2)30-20)23-11-13-24(14-12-23)27-18-26(17-22-9-7-6-8-10-22)28(19-29-27)31(3,4)5/h11-16,18-19,22H,6-10,17H2,1-5H3
InChIKeyVQAPKBXKXROMSI-UHFFFAOYSA-N
XLogP7.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.70
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane
CID 140738962
[6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane
CID 154591896
3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol
CID 174111514
[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane
CID 155611079
[4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
CID 154591950
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039273
4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 169038948
[4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 166575144
[5-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane
CID 140739408
[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane
CID 155612262
4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine
CID 129075043
4-(cyclohexylmethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-4-yl]pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039109

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane?
The IUPAC name of [4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane (CID 166576367) is [4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane is Cc1cc(-c2ccc(-c3cc(CC4CCCCC4)c([Si](C)(C)C)cn3)cc2)cc(C)n1.
What is the InChIKey of [4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane?
The InChIKey is VQAPKBXKXROMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2Si/c1-20-15-25(16-21(2)30-20)23-11-13-24(14-12-23)27-18-26(17-22-9-7-6-8-10-22)28(19-29-27)31(3,4)5/h11-16,18-19,22H,6-10,17H2,1-5H3.
What are the key properties of [4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane?
[4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane has a molecular weight of 428.70 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 166576367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).