bis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane

C42H44S8Si3 — CID 101433570

IUPACbis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane
SMILESCCc1ccc(-c2ccc(-c3ccc(-c4ccc([Si](C)(C)[Si](C)(C)[Si](C)(C)c5ccc(-c6ccc(-c7ccc(-c8ccc(CC)s8)s7)s6)s5)s4)s3)s2)s1
InChIInChI=1S/C42H44S8Si3/c1-9-27-11-13-29(43-27)31-15-17-33(45-31)35-19-21-37(47-35)39-23-25-41(49-39)51(3,4)53(7,8)52(5,6)42-26-24-40(50-42)38-22-20-36(48-38)34-18-16-32(46-34)30-14-12-28(10-2)44-30/h11-26H,9-10H2,1-8H3
InChIKeyNBTICMLCBFANHV-UHFFFAOYSA-N
MW889.61 g/mol
LogP15.70
Rot. Bonds12

About bis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane

bis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane (PubChem CID 101433570) has the molecular formula C42H44S8Si3 and a molecular weight of 889.61 g/mol. Its IUPAC name is bis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane.

Molecular Properties

Compound Namebis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane
PubChem CID101433570
Molecular FormulaC42H44S8Si3
Molecular Weight889.61 g/mol
Exact Mass888.05
IUPAC Namebis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane
SMILESCCc1ccc(-c2ccc(-c3ccc(-c4ccc([Si](C)(C)[Si](C)(C)[Si](C)(C)c5ccc(-c6ccc(-c7ccc(-c8ccc(CC)s8)s7)s6)s5)s4)s3)s2)s1
InChIInChI=1S/C42H44S8Si3/c1-9-27-11-13-29(43-27)31-15-17-33(45-31)35-19-21-37(47-35)39-23-25-41(49-39)51(3,4)53(7,8)52(5,6)42-26-24-40(50-42)38-22-20-36(48-38)34-18-16-32(46-34)30-14-12-28(10-2)44-30/h11-26H,9-10H2,1-8H3
InChIKeyNBTICMLCBFANHV-UHFFFAOYSA-N
XLogP15.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.61
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,5-diethylthiophene
CID 521294
chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane
CID 102049401
ethane;2-(5-ethylthiophen-2-yl)pyridine
CID 142831461
ethane;2-ethyl-5-(2-propylphenyl)thiophene
CID 164918955
2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole
CID 63384084
tris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane
CID 15907126
[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
4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine
CID 63613023
2-ethyl-5-(4-methoxyphenyl)thiophene
CID 21064460
4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine
CID 104609503
2-(5-ethylthiophen-2-yl)-1-methylimidazole
CID 145483602

Frequently Asked Questions

What is the IUPAC name of bis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane?
The IUPAC name of bis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane (CID 101433570) is bis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane.
What is the SMILES notation for bis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane?
The canonical SMILES for bis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane is CCc1ccc(-c2ccc(-c3ccc(-c4ccc([Si](C)(C)[Si](C)(C)[Si](C)(C)c5ccc(-c6ccc(-c7ccc(-c8ccc(CC)s8)s7)s6)s5)s4)s3)s2)s1.
What is the InChIKey of bis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane?
The InChIKey is NBTICMLCBFANHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44S8Si3/c1-9-27-11-13-29(43-27)31-15-17-33(45-31)35-19-21-37(47-35)39-23-25-41(49-39)51(3,4)53(7,8)52(5,6)42-26-24-40(50-42)38-22-20-36(48-38)34-18-16-32(46-34)30-14-12-28(10-2)44-30/h11-26H,9-10H2,1-8H3.
What are the key properties of bis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane?
bis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane has a molecular weight of 889.61 g/mol, XLogP of 15.70, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane is sourced from PubChem (CID 101433570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).