[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane

C31H54S2Sn — CID 24744286

IUPAC[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
SMILESCCCCCCCCCCCCCCCCCCCCc1ccc(-c2ccc([Sn](C)(C)C)s2)s1
InChIInChI=1S/C28H45S2.3CH3.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-23-24-28(30-26)27-22-20-25-29-27;;;;/h20,22-24H,2-19,21H2,1H3;3*1H3;
InChIKeyAGYAFWGUFJTVQU-UHFFFAOYSA-N
MW609.62 g/mol
LogP11.61
Rot. Bonds21

About [5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane

[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane (PubChem CID 24744286) has the molecular formula C31H54S2Sn and a molecular weight of 609.62 g/mol. Its IUPAC name is [5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane.

Molecular Properties

Compound Name[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
PubChem CID24744286
Molecular FormulaC31H54S2Sn
Molecular Weight609.62 g/mol
Exact Mass610.27
IUPAC Name[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
SMILESCCCCCCCCCCCCCCCCCCCCc1ccc(-c2ccc([Sn](C)(C)C)s2)s1
InChIInChI=1S/C28H45S2.3CH3.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-23-24-28(30-26)27-22-20-25-29-27;;;;/h20,22-24H,2-19,21H2,1H3;3*1H3;
InChIKeyAGYAFWGUFJTVQU-UHFFFAOYSA-N
XLogP11.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.62
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-decylthiophen-2-yl)-trimethylstannane
CID 140863319
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
[5-[3,4-dioctyl-5-(5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 153302217
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
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
5-(5-octylthiophen-2-yl)thiophen-2-amine
CID 145051414
trimethyl-[5-[3-(5-trimethylstannylthiophen-2-yl)propyl]thiophen-2-yl]stannane
CID 140886271
2,5-diheptylthiophene
CID 607114
tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane
CID 140799576
4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-7-[5-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-2,1,3-benzothiadiazole
CID 102170175
tributyl-(5-dodecylthiophen-2-yl)stannane
CID 68652035
2-hexyl-5-[2,3,5,6-tetrafluoro-4-(5-hexylthiophen-2-yl)phenyl]thiophene
CID 102511967

Frequently Asked Questions

What is the IUPAC name of [5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane?
The IUPAC name of [5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane (CID 24744286) is [5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane.
What is the SMILES notation for [5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane?
The canonical SMILES for [5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane is CCCCCCCCCCCCCCCCCCCCc1ccc(-c2ccc([Sn](C)(C)C)s2)s1.
What is the InChIKey of [5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane?
The InChIKey is AGYAFWGUFJTVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45S2.3CH3.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-23-24-28(30-26)27-22-20-25-29-27;;;;/h20,22-24H,2-19,21H2,1H3;3*1H3;.
What are the key properties of [5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane?
[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane has a molecular weight of 609.62 g/mol, XLogP of 11.61, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane is sourced from PubChem (CID 24744286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).