[9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane

C64H80S6Si2 — CID 59806443

IUPAC[9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane
SMILESCCCCCCCC[Si](C)(C)C1([Si](C)(C)CCCCCCCC)c2cc(-c3ccc(C)s3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(CCCCCC)s7)s6)s5)s4)s3)cc21
InChIInChI=1S/C64H80S6Si2/c1-9-12-15-18-20-23-42-71(5,6)64(72(7,8)43-24-21-19-16-13-10-2)52-44-47(54-32-26-46(4)65-54)27-30-50(52)51-31-28-48(45-53(51)64)55-34-35-58(67-55)59-38-39-62(69-59)63-41-40-61(70-63)60-37-36-57(68-60)56-33-29-49(66-56)25-22-17-14-11-3/h26-41,44-45H,9-25,42-43H2,1-8H3
InChIKeyOQCJXFLWTMEXDB-UHFFFAOYSA-N
MW1097.92 g/mol
LogP23.97
Rot. Bonds27

About [9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane

[9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane (PubChem CID 59806443) has the molecular formula C64H80S6Si2 and a molecular weight of 1097.92 g/mol. Its IUPAC name is [9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane.

Molecular Properties

Compound Name[9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane
PubChem CID59806443
Molecular FormulaC64H80S6Si2
Molecular Weight1097.92 g/mol
Exact Mass1096.41
IUPAC Name[9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane
SMILESCCCCCCCC[Si](C)(C)C1([Si](C)(C)CCCCCCCC)c2cc(-c3ccc(C)s3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(CCCCCC)s7)s6)s5)s4)s3)cc21
InChIInChI=1S/C64H80S6Si2/c1-9-12-15-18-20-23-42-71(5,6)64(72(7,8)43-24-21-19-16-13-10-2)52-44-47(54-32-26-46(4)65-54)27-30-50(52)51-31-28-48(45-53(51)64)55-34-35-58(67-55)59-38-39-62(69-59)63-41-40-61(70-63)60-37-36-57(68-60)56-33-29-49(66-56)25-22-17-14-11-3/h26-41,44-45H,9-25,42-43H2,1-8H3
InChIKeyOQCJXFLWTMEXDB-UHFFFAOYSA-N
XLogP23.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.92
LogP ≤ 523.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane with MolForge

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Related Compounds

2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 159312204
2-[9,9-didecyl-7-(5-methylthiophen-2-yl)fluoren-2-yl]-5-methylthiophene
CID 21350992
3,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]dibenzothiophene
CID 59489217
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
6-[2,7-bis(5-octylthiophen-2-yl)-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium
CID 132557819
2-[2,6-bis(5-hexylthiophen-2-yl)-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane
CID 87430751
5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-dipentylquinoxaline
CID 58500683
7,17-bis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 118149902
6,17-bis[5-(5-octylthiophen-2-yl)thiophen-2-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
CID 118285666
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
3-(5-dodecylthiophen-2-yl)-2-[5-[5-[3-(5-dodecylthiophen-2-yl)-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58825513
2-hexyl-5-[5-[5-[5-[5-[4-[2-(4-methylphenyl)ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 72567089

Frequently Asked Questions

What is the IUPAC name of [9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane?
The IUPAC name of [9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane (CID 59806443) is [9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane.
What is the SMILES notation for [9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane?
The canonical SMILES for [9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane is CCCCCCCC[Si](C)(C)C1([Si](C)(C)CCCCCCCC)c2cc(-c3ccc(C)s3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(CCCCCC)s7)s6)s5)s4)s3)cc21.
What is the InChIKey of [9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane?
The InChIKey is OQCJXFLWTMEXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H80S6Si2/c1-9-12-15-18-20-23-42-71(5,6)64(72(7,8)43-24-21-19-16-13-10-2)52-44-47(54-32-26-46(4)65-54)27-30-50(52)51-31-28-48(45-53(51)64)55-34-35-58(67-55)59-38-39-62(69-59)63-41-40-61(70-63)60-37-36-57(68-60)56-33-29-49(66-56)25-22-17-14-11-3/h26-41,44-45H,9-25,42-43H2,1-8H3.
What are the key properties of [9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane?
[9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane has a molecular weight of 1097.92 g/mol, XLogP of 23.97, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane is sourced from PubChem (CID 59806443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).