4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane

C151H208BrF3N6O7S13Si4Sn2 — CID 162130751

IUPAC4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)Oc1cc(-c2ccc(-c3c(F)cc(-c4ccc(-c5ccc(OC)s5)s4)c4nsnc34)s2)c(O[Si](CCCCCC)(CCCCCC)CCCCCC)cc1-c1ccc(-c2c(F)cc(-c3ccc(-c4ccc(C=O)s4)s3)c3nsnc23)s1.CCCCCC[Si](CCCCCC)(CCCCCC)Oc1cc(-c2ccc([Sn](C)(C)C)s2)c(O[Si](CCCCCC)(CCCCCC)CCCCCC)cc1-c1ccc([Sn](C)(C)C)s1.COc1ccc(-c2ccc(-c3cc(F)c(Br)c4nsnc34)s2)s1
InChIInChI=1S/C80H98F2N4O4S8Si2.C50H84O2S2Si2.C15H8BrFN2OS3.6CH3.2Sn/c1-8-14-20-26-44-99(45-27-21-15-9-2,46-28-22-16-10-3)89-62-53-57(65-37-41-73(95-65)76-61(82)51-59(78-80(76)86-98-84-78)67-35-39-70(93-67)71-42-43-74(88-7)96-71)63(90-100(47-29-23-17-11-4,48-30-24-18-12-5)49-31-25-19-13-6)52-56(62)64-36-40-72(94-64)75-60(81)50-58(77-79(75)85-97-83-77)66-34-38-69(92-66)68-33-32-55(54-87)91-68;1-7-13-19-25-37-55(38-26-20-14-8-2,39-27-21-15-9-3)51-47-43-46(50-34-32-36-54-50)48(44-45(47)49-33-31-35-53-49)52-56(40-28-22-16-10-4,41-29-23-17-11-5)42-30-24-18-12-6;1-20-12-5-4-11(22-12)10-3-2-9(21-10)7-6-8(17)13(16)15-14(7)18-23-19-15;;;;;;;;/h32-43,50-54H,8-31,44-49H2,1-7H3;31-34,43-44H,7-30,37-42H2,1-6H3;2-6H,1H3;6*1H3;;
InChIKeyZIPZSUMHVOBNPR-UHFFFAOYSA-N
MW3122.89 g/mol
LogP56.05
Rot. Bonds85

About 4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane

4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane (PubChem CID 162130751) has the molecular formula C151H208BrF3N6O7S13Si4Sn2 and a molecular weight of 3122.89 g/mol. Its IUPAC name is 4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane.

Molecular Properties

Compound Name4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane
PubChem CID162130751
Molecular FormulaC151H208BrF3N6O7S13Si4Sn2
Molecular Weight3122.89 g/mol
Exact Mass3120.87
IUPAC Name4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)Oc1cc(-c2ccc(-c3c(F)cc(-c4ccc(-c5ccc(OC)s5)s4)c4nsnc34)s2)c(O[Si](CCCCCC)(CCCCCC)CCCCCC)cc1-c1ccc(-c2c(F)cc(-c3ccc(-c4ccc(C=O)s4)s3)c3nsnc23)s1.CCCCCC[Si](CCCCCC)(CCCCCC)Oc1cc(-c2ccc([Sn](C)(C)C)s2)c(O[Si](CCCCCC)(CCCCCC)CCCCCC)cc1-c1ccc([Sn](C)(C)C)s1.COc1ccc(-c2ccc(-c3cc(F)c(Br)c4nsnc34)s2)s1
InChIInChI=1S/C80H98F2N4O4S8Si2.C50H84O2S2Si2.C15H8BrFN2OS3.6CH3.2Sn/c1-8-14-20-26-44-99(45-27-21-15-9-2,46-28-22-16-10-3)89-62-53-57(65-37-41-73(95-65)76-61(82)51-59(78-80(76)86-98-84-78)67-35-39-70(93-67)71-42-43-74(88-7)96-71)63(90-100(47-29-23-17-11-4,48-30-24-18-12-5)49-31-25-19-13-6)52-56(62)64-36-40-72(94-64)75-60(81)50-58(77-79(75)85-97-83-77)66-34-38-69(92-66)68-33-32-55(54-87)91-68;1-7-13-19-25-37-55(38-26-20-14-8-2,39-27-21-15-9-3)51-47-43-46(50-34-32-36-54-50)48(44-45(47)49-33-31-35-53-49)52-56(40-28-22-16-10-4,41-29-23-17-11-5)42-30-24-18-12-6;1-20-12-5-4-11(22-12)10-3-2-9(21-10)7-6-8(17)13(16)15-14(7)18-23-19-15;;;;;;;;/h32-43,50-54H,8-31,44-49H2,1-7H3;31-34,43-44H,7-30,37-42H2,1-6H3;2-6H,1H3;6*1H3;;
InChIKeyZIPZSUMHVOBNPR-UHFFFAOYSA-N
XLogP56.05
TPSA149.79 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds85
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003122.89
LogP ≤ 556.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane?
The IUPAC name of 4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane (CID 162130751) is 4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane.
What is the SMILES notation for 4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane?
The canonical SMILES for 4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane is CCCCCC[Si](CCCCCC)(CCCCCC)Oc1cc(-c2ccc(-c3c(F)cc(-c4ccc(-c5ccc(OC)s5)s4)c4nsnc34)s2)c(O[Si](CCCCCC)(CCCCCC)CCCCCC)cc1-c1ccc(-c2c(F)cc(-c3ccc(-c4ccc(C=O)s4)s3)c3nsnc23)s1.CCCCCC[Si](CCCCCC)(CCCCCC)Oc1cc(-c2ccc([Sn](C)(C)C)s2)c(O[Si](CCCCCC)(CCCCCC)CCCCCC)cc1-c1ccc([Sn](C)(C)C)s1.COc1ccc(-c2ccc(-c3cc(F)c(Br)c4nsnc34)s2)s1.
What is the InChIKey of 4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane?
The InChIKey is ZIPZSUMHVOBNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H98F2N4O4S8Si2.C50H84O2S2Si2.C15H8BrFN2OS3.6CH3.2Sn/c1-8-14-20-26-44-99(45-27-21-15-9-2,46-28-22-16-10-3)89-62-53-57(65-37-41-73(95-65)76-61(82)51-59(78-80(76)86-98-84-78)67-35-39-70(93-67)71-42-43-74(88-7)96-71)63(90-100(47-29-23-17-11-4,48-30-24-18-12-5)49-31-25-19-13-6)52-56(62)64-36-40-72(94-64)75-60(81)50-58(77-79(75)85-97-83-77)66-34-38-69(92-66)68-33-32-55(54-87)91-68;1-7-13-19-25-37-55(38-26-20-14-8-2,39-27-21-15-9-3)51-47-43-46(50-34-32-36-54-50)48(44-45(47)49-33-31-35-53-49)52-56(40-28-22-16-10-4,41-29-23-17-11-5)42-30-24-18-12-6;1-20-12-5-4-11(22-12)10-3-2-9(21-10)7-6-8(17)13(16)15-14(7)18-23-19-15;;;;;;;;/h32-43,50-54H,8-31,44-49H2,1-7H3;31-34,43-44H,7-30,37-42H2,1-6H3;2-6H,1H3;6*1H3;;.
What are the key properties of 4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane?
4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane has a molecular weight of 3122.89 g/mol, XLogP of 56.05, 85 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-[5-[5-fluoro-4-[5-[4-[5-[5-fluoro-7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-bis(trihexylsilyloxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophene-2-carbaldehyde;trihexyl-[4-trihexylsilyloxy-2,5-bis(5-trimethylstannylthiophen-2-yl)phenoxy]silane is sourced from PubChem (CID 162130751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).