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

C30H48S3Sn2 — CID 170898127

IUPAC[4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
SMILESCCCCCCc1cc([Sn](C)(C)C)sc1-c1ccc(-c2sc([Sn](C)(C)C)cc2CCCCCC)s1
InChIInChI=1S/C24H30S3.6CH3.2Sn/c1-3-5-7-9-11-19-15-17-25-23(19)21-13-14-22(27-21)24-20(16-18-26-24)12-10-8-6-4-2;;;;;;;;/h13-16H,3-12H2,1-2H3;6*1H3;;
InChIKeyXBMGWJHTCLBEEV-UHFFFAOYSA-N
MW742.34 g/mol
LogP10.54
Rot. Bonds14

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

[4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane (PubChem CID 170898127) has the molecular formula C30H48S3Sn2 and a molecular weight of 742.34 g/mol. Its IUPAC name is [4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane.

Molecular Properties

Compound Name[4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
PubChem CID170898127
Molecular FormulaC30H48S3Sn2
Molecular Weight742.34 g/mol
Exact Mass744.10
IUPAC Name[4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
SMILESCCCCCCc1cc([Sn](C)(C)C)sc1-c1ccc(-c2sc([Sn](C)(C)C)cc2CCCCCC)s1
InChIInChI=1S/C24H30S3.6CH3.2Sn/c1-3-5-7-9-11-19-15-17-25-23(19)21-13-14-22(27-21)24-20(16-18-26-24)12-10-8-6-4-2;;;;;;;;/h13-16H,3-12H2,1-2H3;6*1H3;;
InChIKeyXBMGWJHTCLBEEV-UHFFFAOYSA-N
XLogP10.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.34
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
3-dodecyl-2-[5-[5-(3-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 23522605
5-bromo-2-[5-[5-(5-bromo-3-heptadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-heptadecylthiophene
CID 58084268
[4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane
CID 67416525
trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane
CID 154725648
[5-[3,4-dioctyl-5-(5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 153302217
3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 101128225
2-bromo-5-[5-[5-[5-[5-(5-bromo-4-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-3-hexylthiophene
CID 102588392
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
3,12,25,34-tetraoctyl-45,46,47,48,49,50,51,52,53,54-decathiaundecacyclo[40.2.1.12,5.16,9.110,13.114,17.120,23.124,27.128,31.132,35.136,39]tetrapentaconta-1(44),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32,34,36,38,42-icosaene
CID 101094736
[4-hexyl-5-[5-(3-hexyl-5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phosphonic acid
CID 101498844
2,5-bis[5-(5-methylthiophen-2-yl)-4-tetradecylthiophen-2-yl]thieno[3,2-b]thiophene
CID 59638614

Frequently Asked Questions

What is the IUPAC name of [4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane?
The IUPAC name of [4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane (CID 170898127) is [4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane.
What is the SMILES notation for [4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane?
The canonical SMILES for [4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane is CCCCCCc1cc([Sn](C)(C)C)sc1-c1ccc(-c2sc([Sn](C)(C)C)cc2CCCCCC)s1.
What is the InChIKey of [4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane?
The InChIKey is XBMGWJHTCLBEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30S3.6CH3.2Sn/c1-3-5-7-9-11-19-15-17-25-23(19)21-13-14-22(27-21)24-20(16-18-26-24)12-10-8-6-4-2;;;;;;;;/h13-16H,3-12H2,1-2H3;6*1H3;;.
What are the key properties of [4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane?
[4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane has a molecular weight of 742.34 g/mol, XLogP of 10.54, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane is sourced from PubChem (CID 170898127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).