trimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane

C50H90O4S4Si6Sn2 — CID 176786497

IUPACtrimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane
SMILESC[Si](C)(C)O[Si](C)(CCCCCCc1ccc(-c2c3cc([Sn](C)(C)C)sc3c(-c3ccc(CCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)s3)c3cc([Sn](C)(C)C)sc23)s1)O[Si](C)(C)C
InChIInChI=1S/C44H72O4S4Si6.6CH3.2Sn/c1-53(2,3)45-57(13,46-54(4,5)6)33-21-17-15-19-23-35-25-27-39(51-35)41-37-29-31-50-44(37)42(38-30-32-49-43(38)41)40-28-26-36(52-40)24-20-16-18-22-34-58(14,47-55(7,8)9)48-56(10,11)12;;;;;;;;/h25-30H,15-24,33-34H2,1-14H3;6*1H3;;
InChIKeyGGOJMVPOPHWPIY-UHFFFAOYSA-N
MW1289.47 g/mol
LogP18.42
Rot. Bonds26

About trimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane

trimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane (PubChem CID 176786497) has the molecular formula C50H90O4S4Si6Sn2 and a molecular weight of 1289.47 g/mol. Its IUPAC name is trimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane
PubChem CID176786497
Molecular FormulaC50H90O4S4Si6Sn2
Molecular Weight1289.47 g/mol
Exact Mass1290.24
IUPAC Nametrimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane
SMILESC[Si](C)(C)O[Si](C)(CCCCCCc1ccc(-c2c3cc([Sn](C)(C)C)sc3c(-c3ccc(CCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)s3)c3cc([Sn](C)(C)C)sc23)s1)O[Si](C)(C)C
InChIInChI=1S/C44H72O4S4Si6.6CH3.2Sn/c1-53(2,3)45-57(13,46-54(4,5)6)33-21-17-15-19-23-35-25-27-39(51-35)41-37-29-31-50-44(37)42(38-30-32-49-43(38)41)40-28-26-36(52-40)24-20-16-18-22-34-58(14,47-55(7,8)9)48-56(10,11)12;;;;;;;;/h25-30H,15-24,33-34H2,1-14H3;6*1H3;;
InChIKeyGGOJMVPOPHWPIY-UHFFFAOYSA-N
XLogP18.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001289.47
LogP ≤ 518.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze trimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane with MolForge

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Related Compounds

[4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
CID 177425963
[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 24744286
[4,8-bis(5-hexylfuran-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
CID 177391534
[4,8-bis(5-octan-3-ylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
CID 131697925
[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-7-yl]-trimethylstannane
CID 177402550
trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane
CID 157481440
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
(5-decylthiophen-2-yl)-trimethylstannane
CID 140863319
trimethyl-[5-[3-(5-trimethylstannylthiophen-2-yl)propyl]thiophen-2-yl]stannane
CID 140886271
[5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 159682005
chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane
CID 102049401
(4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane
CID 66653400

Frequently Asked Questions

What is the IUPAC name of trimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane?
The IUPAC name of trimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane (CID 176786497) is trimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane.
What is the SMILES notation for trimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane?
The canonical SMILES for trimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane is C[Si](C)(C)O[Si](C)(CCCCCCc1ccc(-c2c3cc([Sn](C)(C)C)sc3c(-c3ccc(CCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)s3)c3cc([Sn](C)(C)C)sc23)s1)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane?
The InChIKey is GGOJMVPOPHWPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H72O4S4Si6.6CH3.2Sn/c1-53(2,3)45-57(13,46-54(4,5)6)33-21-17-15-19-23-35-25-27-39(51-35)41-37-29-31-50-44(37)42(38-30-32-49-43(38)41)40-28-26-36(52-40)24-20-16-18-22-34-58(14,47-55(7,8)9)48-56(10,11)12;;;;;;;;/h25-30H,15-24,33-34H2,1-14H3;6*1H3;;.
What are the key properties of trimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane?
trimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane has a molecular weight of 1289.47 g/mol, XLogP of 18.42, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane is sourced from PubChem (CID 176786497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).