[6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane

C30H41NSi — CID 177122780

IUPAC[6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane
SMILESCC1(C)CCC(c2cc(-c3cc(C(C)(C)C)c4ccccc4c3)ncc2[Si](C)(C)C)CC1
InChIInChI=1S/C30H41NSi/c1-29(2,3)26-18-23(17-22-11-9-10-12-24(22)26)27-19-25(28(20-31-27)32(6,7)8)21-13-15-30(4,5)16-14-21/h9-12,17-21H,13-16H2,1-8H3
InChIKeyILJNYEPZLTVXRU-UHFFFAOYSA-N
MW443.75 g/mol
LogP8.43
Rot. Bonds3

About [6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane

[6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane (PubChem CID 177122780) has the molecular formula C30H41NSi and a molecular weight of 443.75 g/mol. Its IUPAC name is [6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane
PubChem CID177122780
Molecular FormulaC30H41NSi
Molecular Weight443.75 g/mol
Exact Mass443.30
IUPAC Name[6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane
SMILESCC1(C)CCC(c2cc(-c3cc(C(C)(C)C)c4ccccc4c3)ncc2[Si](C)(C)C)CC1
InChIInChI=1S/C30H41NSi/c1-29(2,3)26-18-23(17-22-11-9-10-12-24(22)26)27-19-25(28(20-31-27)32(6,7)8)21-13-15-30(4,5)16-14-21/h9-12,17-21H,13-16H2,1-8H3
InChIKeyILJNYEPZLTVXRU-UHFFFAOYSA-N
XLogP8.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.75
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)benzo[h]isoquinoline
CID 156667190
1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine
CID 168852909
[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-trimethylgermane
CID 177122651
1-(4-tert-butylnaphthalen-2-yl)-8-spiro[5.5]undecan-3-yl-[1]benzothiolo[2,3-c]pyridine
CID 154599302
17-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-12-oxa-16-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4(9),10,14,16,18,20-octaene
CID 170678290
7-(4-tert-butylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-thia-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene
CID 170678326
[4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane
CID 171764411
2-tert-butyl-4-(4,4-dimethylcyclohexyl)-1-methylanthracene
CID 155760218
8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine
CID 164709359
(4-tert-butyl-6-phenyl-3-pyridinyl)-trimethylsilane
CID 140710315
2-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-1,3-benzothiazole
CID 156665521
4-(1-benzofuran-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine
CID 171741463

Frequently Asked Questions

What is the IUPAC name of [6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane?
The IUPAC name of [6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane (CID 177122780) is [6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane is CC1(C)CCC(c2cc(-c3cc(C(C)(C)C)c4ccccc4c3)ncc2[Si](C)(C)C)CC1.
What is the InChIKey of [6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane?
The InChIKey is ILJNYEPZLTVXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41NSi/c1-29(2,3)26-18-23(17-22-11-9-10-12-24(22)26)27-19-25(28(20-31-27)32(6,7)8)21-13-15-30(4,5)16-14-21/h9-12,17-21H,13-16H2,1-8H3.
What are the key properties of [6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane?
[6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane has a molecular weight of 443.75 g/mol, XLogP of 8.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 177122780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).