bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane

C83H90S14Si3 — CID 102519870

IUPACbis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane
SMILESCCCCCCc1ccc(-c2ccc([Si](C)(c3ccc(-c4ccc(CCCCCC)s4)s3)c3ccc(-c4ccc([Si](C)(c5ccc(-c6cccs6)s5)c5ccc(-c6ccc([Si](C)(c7ccc(-c8ccc(CCCCCC)s8)s7)c7ccc(-c8ccc(CCCCCC)s8)s7)s6)s5)s4)s3)s2)s1
InChIInChI=1S/C83H90S14Si3/c1-8-12-16-20-25-57-30-34-63(85-57)67-39-48-76(90-67)99(6,77-49-40-68(91-77)64-35-31-58(86-64)26-21-17-13-9-2)82-54-45-73(96-82)71-43-52-80(94-71)98(5,75-47-38-62(89-75)61-29-24-56-84-61)81-53-44-72(95-81)74-46-55-83(97-74)100(7,78-50-41-69(92-78)65-36-32-59(87-65)27-22-18-14-10-3)79-51-42-70(93-79)66-37-33-60(88-66)28-23-19-15-11-4/h24,29-56H,8-23,25-28H2,1-7H3
InChIKeyFTGWHVPOGWAAJY-UHFFFAOYSA-N
MW1620.83 g/mol
LogP26.01
Rot. Bonds36

About bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane

bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane (PubChem CID 102519870) has the molecular formula C83H90S14Si3 and a molecular weight of 1620.83 g/mol. Its IUPAC name is bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane.

Molecular Properties

Compound Namebis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane
PubChem CID102519870
Molecular FormulaC83H90S14Si3
Molecular Weight1620.83 g/mol
Exact Mass1618.24
IUPAC Namebis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane
SMILESCCCCCCc1ccc(-c2ccc([Si](C)(c3ccc(-c4ccc(CCCCCC)s4)s3)c3ccc(-c4ccc([Si](C)(c5ccc(-c6cccs6)s5)c5ccc(-c6ccc([Si](C)(c7ccc(-c8ccc(CCCCCC)s8)s7)c7ccc(-c8ccc(CCCCCC)s8)s7)s6)s5)s4)s3)s2)s1
InChIInChI=1S/C83H90S14Si3/c1-8-12-16-20-25-57-30-34-63(85-57)67-39-48-76(90-67)99(6,77-49-40-68(91-77)64-35-31-58(86-64)26-21-17-13-9-2)82-54-45-73(96-82)71-43-52-80(94-71)98(5,75-47-38-62(89-75)61-29-24-56-84-61)81-53-44-72(95-81)74-46-55-83(97-74)100(7,78-50-41-69(92-78)65-36-32-59(87-65)27-22-18-14-10-3)79-51-42-70(93-79)66-37-33-60(88-66)28-23-19-15-11-4/h24,29-56H,8-23,25-28H2,1-7H3
InChIKeyFTGWHVPOGWAAJY-UHFFFAOYSA-N
XLogP26.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds36
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001620.83
LogP ≤ 526.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane with MolForge

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Related Compounds

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
2-(8-bromooctyl)-5-thiophen-2-ylthiophene
CID 11013746
dibutyl-[dibutyl-(5-thiophen-2-ylthiophen-2-yl)silyl]-(5-thiophen-2-ylthiophen-2-yl)silane
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CID 100937102
2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 102394967
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-bromo-3-(5-dodecylthiophen-2-yl)thiophene
CID 69300952
[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 24744286
2-[5-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3,4-dioctyl-5-thiophen-2-ylthiophene
CID 59188449
5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene
CID 160895933
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
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CID 145051414

Frequently Asked Questions

What is the IUPAC name of bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane?
The IUPAC name of bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane (CID 102519870) is bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane.
What is the SMILES notation for bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane?
The canonical SMILES for bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane is CCCCCCc1ccc(-c2ccc([Si](C)(c3ccc(-c4ccc(CCCCCC)s4)s3)c3ccc(-c4ccc([Si](C)(c5ccc(-c6cccs6)s5)c5ccc(-c6ccc([Si](C)(c7ccc(-c8ccc(CCCCCC)s8)s7)c7ccc(-c8ccc(CCCCCC)s8)s7)s6)s5)s4)s3)s2)s1.
What is the InChIKey of bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane?
The InChIKey is FTGWHVPOGWAAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H90S14Si3/c1-8-12-16-20-25-57-30-34-63(85-57)67-39-48-76(90-67)99(6,77-49-40-68(91-77)64-35-31-58(86-64)26-21-17-13-9-2)82-54-45-73(96-82)71-43-52-80(94-71)98(5,75-47-38-62(89-75)61-29-24-56-84-61)81-53-44-72(95-81)74-46-55-83(97-74)100(7,78-50-41-69(92-78)65-36-32-59(87-65)27-22-18-14-10-3)79-51-42-70(93-79)66-37-33-60(88-66)28-23-19-15-11-4/h24,29-56H,8-23,25-28H2,1-7H3.
What are the key properties of bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane?
bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane has a molecular weight of 1620.83 g/mol, XLogP of 26.01, 36 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane is sourced from PubChem (CID 102519870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).