5,5'-bis(trimethylstannyl)-3,3'-dihexylsilylene-2,2'-bithiophene

C26H46S2SiSn2 — CID 90218027

IUPAC—
SMILESCCCCCCC1=C(c2sc([Sn](C)(C)C)cc2CCCCCC)S(=[Si])C([Sn](C)(C)C)=C1
InChIInChI=1S/C20H28S2Si.6CH3.2Sn/c1-3-5-7-9-11-17-13-15-21-19(17)20-18(14-16-22(20)23)12-10-8-6-4-2;;;;;;;;/h13-14H,3-12H2,1-2H3;6*1H3;;
InChIKeyNLCDRHGQNJGWSN-UHFFFAOYSA-N
MW688.30 g/mol
LogP9.22
Rot. Bonds13

About 5,5'-bis(trimethylstannyl)-3,3'-dihexylsilylene-2,2'-bithiophene

5,5'-bis(trimethylstannyl)-3,3'-dihexylsilylene-2,2'-bithiophene (PubChem CID 90218027) has the molecular formula C26H46S2SiSn2 and a molecular weight of 688.30 g/mol.

Molecular Properties

Compound Name5,5'-bis(trimethylstannyl)-3,3'-dihexylsilylene-2,2'-bithiophene
PubChem CID90218027
Molecular FormulaC26H46S2SiSn2
Molecular Weight688.30 g/mol
Exact Mass690.09
IUPAC Name—
SMILESCCCCCCC1=C(c2sc([Sn](C)(C)C)cc2CCCCCC)S(=[Si])C([Sn](C)(C)C)=C1
InChIInChI=1S/C20H28S2Si.6CH3.2Sn/c1-3-5-7-9-11-17-13-15-21-19(17)20-18(14-16-22(20)23)12-10-8-6-4-2;;;;;;;;/h13-14H,3-12H2,1-2H3;6*1H3;;
InChIKeyNLCDRHGQNJGWSN-UHFFFAOYSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.30
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,5'-bis(trimethylstannyl)-3,3'-dihexylsilylene-2,2'-bithiophene 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

[4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 170898127
trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane
CID 154725648
[4-dodecyl-5-[5-[5-(3-dodecyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane;2-(3-dodecylthiophen-2-yl)-5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophene
CID 158616925
[4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane
CID 67416525
(4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane
CID 66653400
2,4,6-tris(5-bromo-3-hexylthiophen-2-yl)-1,3,5-triazine
CID 122229494
5-bromo-2-(5-bromo-3-octylthiophen-2-yl)-3-octylthiophene
CID 86180196
(5-decylthiophen-2-yl)-trimethylstannane
CID 140863319
3-hexyl-2-[4-hexyl-5-[4-hexyl-5-(4-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58239839
[5-[3,4-dioctyl-5-(5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 153302217
3-dodecyl-2-[5-[5-(3-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 23522605
3,4-didecylthiophene
CID 21200004

Frequently Asked Questions

What is the IUPAC name of 5,5'-bis(trimethylstannyl)-3,3'-dihexylsilylene-2,2'-bithiophene?
The IUPAC name of 5,5'-bis(trimethylstannyl)-3,3'-dihexylsilylene-2,2'-bithiophene (CID 90218027) is not available.
What is the SMILES notation for 5,5'-bis(trimethylstannyl)-3,3'-dihexylsilylene-2,2'-bithiophene?
The canonical SMILES for 5,5'-bis(trimethylstannyl)-3,3'-dihexylsilylene-2,2'-bithiophene is CCCCCCC1=C(c2sc([Sn](C)(C)C)cc2CCCCCC)S(=[Si])C([Sn](C)(C)C)=C1.
What is the InChIKey of 5,5'-bis(trimethylstannyl)-3,3'-dihexylsilylene-2,2'-bithiophene?
The InChIKey is NLCDRHGQNJGWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28S2Si.6CH3.2Sn/c1-3-5-7-9-11-17-13-15-21-19(17)20-18(14-16-22(20)23)12-10-8-6-4-2;;;;;;;;/h13-14H,3-12H2,1-2H3;6*1H3;;.
What are the key properties of 5,5'-bis(trimethylstannyl)-3,3'-dihexylsilylene-2,2'-bithiophene?
5,5'-bis(trimethylstannyl)-3,3'-dihexylsilylene-2,2'-bithiophene has a molecular weight of 688.30 g/mol, XLogP of 9.22, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-bis(trimethylstannyl)-3,3'-dihexylsilylene-2,2'-bithiophene is sourced from PubChem (CID 90218027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).