5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline

C60H64F2N2S2Si — CID 58500542

IUPAC5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline
SMILESCCCCCCCC[Si]1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3sc(-c4ccc(-c5cc(C)c(C)s5)c5nc(-c6ccc(F)cc6)c(-c6ccc(F)cc6)nc45)cc3C)cc21
InChIInChI=1S/C60H64F2N2S2Si/c1-7-9-11-13-15-17-33-67(34-18-16-14-12-10-8-2)54-35-39(3)19-29-48(54)49-30-24-45(38-55(49)67)60-41(5)37-53(66-60)51-32-31-50(52-36-40(4)42(6)65-52)58-59(51)64-57(44-22-27-47(62)28-23-44)56(63-58)43-20-25-46(61)26-21-43/h19-32,35-38H,7-18,33-34H2,1-6H3
InChIKeyGIRQCWORUBORGH-UHFFFAOYSA-N
MW943.40 g/mol
LogP17.86
Rot. Bonds19

About 5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline

5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline (PubChem CID 58500542) has the molecular formula C60H64F2N2S2Si and a molecular weight of 943.40 g/mol. Its IUPAC name is 5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline.

Molecular Properties

Compound Name5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline
PubChem CID58500542
Molecular FormulaC60H64F2N2S2Si
Molecular Weight943.40 g/mol
Exact Mass942.42
IUPAC Name5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline
SMILESCCCCCCCC[Si]1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3sc(-c4ccc(-c5cc(C)c(C)s5)c5nc(-c6ccc(F)cc6)c(-c6ccc(F)cc6)nc45)cc3C)cc21
InChIInChI=1S/C60H64F2N2S2Si/c1-7-9-11-13-15-17-33-67(34-18-16-14-12-10-8-2)54-35-39(3)19-29-48(54)49-30-24-45(38-55(49)67)60-41(5)37-53(66-60)51-32-31-50(52-36-40(4)42(6)65-52)58-59(51)64-57(44-22-27-47(62)28-23-44)56(63-58)43-20-25-46(61)26-21-43/h19-32,35-38H,7-18,33-34H2,1-6H3
InChIKeyGIRQCWORUBORGH-UHFFFAOYSA-N
XLogP17.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.40
LogP ≤ 517.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline with MolForge

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Related Compounds

2,3-Bis[5-(pyren-1-yl)thiophen-2-yl]-6,7-difluoroquinoxaline
CID 171905070
5,8-Dithien-2-yl-2,3-diphenylquinoxaline
CID 58273761
2,3-Didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline
CID 58090514
6,7-Difluoro-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-methylphenyl)-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500491
6,7-Difluoro-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-diphenylquinoxaline
CID 58500493
7-Methyl-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-diphenyl-6-(trifluoromethyl)quinoxaline
CID 58500504
5-[5-[9,9-Bis(2-ethylhexyl)-7-methylfluoren-2-yl]thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500506
2,3-Bis(4-fluorophenyl)-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500513
2-[5-[2,3-Bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-7-methyl-9-octylcarbazole
CID 58500519
6,7-Difluoro-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-diphenylquinoxaline
CID 58500552
6,7-Difluoro-2,3-bis(4-fluorophenyl)-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500554
5-[5-(9,9-Dihexyl-7-methylfluoren-2-yl)-4-methylthiophen-2-yl]-8-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)quinoxaline
CID 58500567

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline?
The IUPAC name of 5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline (CID 58500542) is 5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline.
What is the SMILES notation for 5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline?
The canonical SMILES for 5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline is CCCCCCCC[Si]1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3sc(-c4ccc(-c5cc(C)c(C)s5)c5nc(-c6ccc(F)cc6)c(-c6ccc(F)cc6)nc45)cc3C)cc21.
What is the InChIKey of 5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline?
The InChIKey is GIRQCWORUBORGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H64F2N2S2Si/c1-7-9-11-13-15-17-33-67(34-18-16-14-12-10-8-2)54-35-39(3)19-29-48(54)49-30-24-45(38-55(49)67)60-41(5)37-53(66-60)51-32-31-50(52-36-40(4)42(6)65-52)58-59(51)64-57(44-22-27-47(62)28-23-44)56(63-58)43-20-25-46(61)26-21-43/h19-32,35-38H,7-18,33-34H2,1-6H3.
What are the key properties of 5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline?
5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline has a molecular weight of 943.40 g/mol, XLogP of 17.86, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline is sourced from PubChem (CID 58500542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).