[4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane

C34H50S4Sn2 — CID 67416525

IUPAC[4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane
SMILESCCCCCCc1cc([Sn](C)(C)C)sc1-c1ccsc1-c1ccsc1-c1sc([Sn](C)(C)C)cc1CCCCCC
InChIInChI=1S/C28H32S4.6CH3.2Sn/c1-3-5-7-9-11-21-13-17-29-25(21)23-15-19-31-27(23)24-16-20-32-28(24)26-22(14-18-30-26)12-10-8-6-4-2;;;;;;;;/h13-16,19-20H,3-12H2,1-2H3;6*1H3;;
InChIKeySSTUWVYNUNDBTK-UHFFFAOYSA-N
MW824.46 g/mol
LogP12.27
Rot. Bonds15

About [4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane

[4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane (PubChem CID 67416525) has the molecular formula C34H50S4Sn2 and a molecular weight of 824.46 g/mol. Its IUPAC name is [4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane.

Molecular Properties

Compound Name[4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane
PubChem CID67416525
Molecular FormulaC34H50S4Sn2
Molecular Weight824.46 g/mol
Exact Mass826.08
IUPAC Name[4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane
SMILESCCCCCCc1cc([Sn](C)(C)C)sc1-c1ccsc1-c1ccsc1-c1sc([Sn](C)(C)C)cc1CCCCCC
InChIInChI=1S/C28H32S4.6CH3.2Sn/c1-3-5-7-9-11-21-13-17-29-25(21)23-15-19-31-27(23)24-16-20-32-28(24)26-22(14-18-30-26)12-10-8-6-4-2;;;;;;;;/h13-16,19-20H,3-12H2,1-2H3;6*1H3;;
InChIKeySSTUWVYNUNDBTK-UHFFFAOYSA-N
XLogP12.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.46
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[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-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 170898127
3-octyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 101041638
trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane
CID 154725648
3-pentyl-2-(3-pentylthiophen-2-yl)thiophene
CID 86066815
2,5-bis(3-hexylthiophen-2-yl)thiophene
CID 14916420
3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene
CID 141412615
tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane
CID 11600630
3,4-dimethyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 91212420
2-(3-hexylthiophen-2-yl)-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 71381559
5,5'-bis(trimethylstannyl)-3,3'-dihexylsilylene-2,2'-bithiophene
CID 90218027
3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
CID 15363325

Frequently Asked Questions

What is the IUPAC name of [4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane?
The IUPAC name of [4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane (CID 67416525) is [4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane.
What is the SMILES notation for [4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane?
The canonical SMILES for [4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane is CCCCCCc1cc([Sn](C)(C)C)sc1-c1ccsc1-c1ccsc1-c1sc([Sn](C)(C)C)cc1CCCCCC.
What is the InChIKey of [4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane?
The InChIKey is SSTUWVYNUNDBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32S4.6CH3.2Sn/c1-3-5-7-9-11-21-13-17-29-25(21)23-15-19-31-27(23)24-16-20-32-28(24)26-22(14-18-30-26)12-10-8-6-4-2;;;;;;;;/h13-16,19-20H,3-12H2,1-2H3;6*1H3;;.
What are the key properties of [4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane?
[4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane has a molecular weight of 824.46 g/mol, XLogP of 12.27, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane is sourced from PubChem (CID 67416525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).