2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane

C27H24OS2Si — CID 160709866

IUPAC2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane
SMILESC#Cc1sccc1-c1cc2cc(OC)c(-c3ccsc3C#C[Si](C)(C)C)cc2cc1C
InChIInChI=1S/C27H24OS2Si/c1-7-26-21(8-11-29-26)23-15-20-17-25(28-3)24(16-19(20)14-18(23)2)22-9-12-30-27(22)10-13-31(4,5)6/h1,8-9,11-12,14-17H,2-6H3
InChIKeyLFJGUKUHKXZZHR-UHFFFAOYSA-N
MW456.71 g/mol
LogP7.82
Rot. Bonds3

About 2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane

2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane (PubChem CID 160709866) has the molecular formula C27H24OS2Si and a molecular weight of 456.71 g/mol. Its IUPAC name is 2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane
PubChem CID160709866
Molecular FormulaC27H24OS2Si
Molecular Weight456.71 g/mol
Exact Mass456.10
IUPAC Name2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane
SMILESC#Cc1sccc1-c1cc2cc(OC)c(-c3ccsc3C#C[Si](C)(C)C)cc2cc1C
InChIInChI=1S/C27H24OS2Si/c1-7-26-21(8-11-29-26)23-15-20-17-25(28-3)24(16-19(20)14-18(23)2)22-9-12-30-27(22)10-13-31(4,5)6/h1,8-9,11-12,14-17H,2-6H3
InChIKeyLFJGUKUHKXZZHR-UHFFFAOYSA-N
XLogP7.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.71
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
CID 169050071
2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane
CID 15339452
2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane
CID 11160666
ethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene
CID 143505670
2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole
CID 116868425
4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
CID 177477117
4-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazole
CID 116891772
3-(3-methoxythiophen-2-yl)prop-2-ynenitrile
CID 116791110
2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane
CID 12967993
ethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol
CID 143505558
bis(3-methoxy-4-thiophen-2-ylphenyl)diazene
CID 134812992
4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane
CID 15531435

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane (CID 160709866) is 2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane is C#Cc1sccc1-c1cc2cc(OC)c(-c3ccsc3C#C[Si](C)(C)C)cc2cc1C.
What is the InChIKey of 2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane?
The InChIKey is LFJGUKUHKXZZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24OS2Si/c1-7-26-21(8-11-29-26)23-15-20-17-25(28-3)24(16-19(20)14-18(23)2)22-9-12-30-27(22)10-13-31(4,5)6/h1,8-9,11-12,14-17H,2-6H3.
What are the key properties of 2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane?
2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane has a molecular weight of 456.71 g/mol, XLogP of 7.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 160709866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).