trichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane

C22H21Cl3S5Si — CID 59687604

IUPACtrichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane
SMILESCCCCCCSc1ccc(-c2ccc(-c3ccc(-c4ccc([Si](Cl)(Cl)Cl)s4)s3)s2)s1
InChIInChI=1S/C22H21Cl3S5Si/c1-2-3-4-5-14-26-21-12-10-19(29-21)17-8-6-15(27-17)16-7-9-18(28-16)20-11-13-22(30-20)31(23,24)25/h6-13H,2-5,14H2,1H3
InChIKeyZFNGMLDMPFZXJZ-UHFFFAOYSA-N
MW580.19 g/mol
LogP10.47
Rot. Bonds10

About trichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane

trichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane (PubChem CID 59687604) has the molecular formula C22H21Cl3S5Si and a molecular weight of 580.19 g/mol. Its IUPAC name is trichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane.

Molecular Properties

Compound Nametrichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane
PubChem CID59687604
Molecular FormulaC22H21Cl3S5Si
Molecular Weight580.19 g/mol
Exact Mass577.91
IUPAC Nametrichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane
SMILESCCCCCCSc1ccc(-c2ccc(-c3ccc(-c4ccc([Si](Cl)(Cl)Cl)s4)s3)s2)s1
InChIInChI=1S/C22H21Cl3S5Si/c1-2-3-4-5-14-26-21-12-10-19(29-21)17-8-6-15(27-17)16-7-9-18(28-16)20-11-13-22(30-20)31(23,24)25/h6-13H,2-5,14H2,1H3
InChIKeyZFNGMLDMPFZXJZ-UHFFFAOYSA-N
XLogP10.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.19
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(5-octylsulfanylthiophen-2-yl)thiophene
CID 71361773
2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 15187094
tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane
CID 102132032
[5-[5-[5-[5-[5-[5-[dimethyl(octyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethyl-octylsilane
CID 101486956
[5-[5-[5-[dimethyl(octyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethyl-octylsilane
CID 101486953
5-decylsulfanylthiophene-2-carbaldehyde
CID 10469146
2-decylsulfanyl-5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(5-decylsulfanylthiophen-2-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]thiophene
CID 10440027
1-(5-tetradecylsulfanylthiophen-2-yl)ethanone
CID 71390469
5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 145155854
2-(4-carboxy-2-pyridinyl)-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 129070298
bis(5-butylsulfanylthiophen-2-yl)iodanium
CID 154075831
2-propylsulfanyl-5-thiophen-2-ylthiophene
CID 100914409

Frequently Asked Questions

What is the IUPAC name of trichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane?
The IUPAC name of trichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane (CID 59687604) is trichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane.
What is the SMILES notation for trichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane?
The canonical SMILES for trichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane is CCCCCCSc1ccc(-c2ccc(-c3ccc(-c4ccc([Si](Cl)(Cl)Cl)s4)s3)s2)s1.
What is the InChIKey of trichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane?
The InChIKey is ZFNGMLDMPFZXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl3S5Si/c1-2-3-4-5-14-26-21-12-10-19(29-21)17-8-6-15(27-17)16-7-9-18(28-16)20-11-13-22(30-20)31(23,24)25/h6-13H,2-5,14H2,1H3.
What are the key properties of trichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane?
trichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane has a molecular weight of 580.19 g/mol, XLogP of 10.47, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane is sourced from PubChem (CID 59687604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).