2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane

C101H137Br2F3S9Sn — CID 158908060

IUPAC2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane
SMILESCCCCCCCCCCCCc1cc(-c2cc(CCCCCCCCCCCC)c(-c3ccc(-c4ccc(-c5ccc(F)cc5)s4)s3)s2)sc1-c1ccc(F)cc1.CCCCCCCCCCCCc1cc(-c2cc(CCCCCCCCCCCC)c(Br)s2)sc1Br.Cc1ccc(-c2ccc([Sn](C)(C)C)s2)s1.Cc1ccc(F)s1
InChIInChI=1S/C52H64F2S4.C32H52Br2S2.C9H7S2.C5H5FS.3CH3.Sn/c1-3-5-7-9-11-13-15-17-19-21-23-41-37-49(57-51(41)40-27-31-44(54)32-28-40)50-38-42(24-22-20-18-16-14-12-10-8-6-4-2)52(58-50)48-36-35-47(56-48)46-34-33-45(55-46)39-25-29-43(53)30-26-39;1-3-5-7-9-11-13-15-17-19-21-23-27-25-29(35-31(27)33)30-26-28(32(34)36-30)24-22-20-18-16-14-12-10-8-6-4-2;1-7-4-5-9(11-7)8-3-2-6-10-8;1-4-2-3-5(6)7-4;;;;/h25-38H,3-24H2,1-2H3;25-26H,3-24H2,1-2H3;2-5H,1H3;2-3H,1H3;3*1H3;
InChIKeyJGHJCIIPGGQQDR-UHFFFAOYSA-N
MW1975.32 g/mol
LogP39.93
Rot. Bonds52

About 2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane

2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane (PubChem CID 158908060) has the molecular formula C101H137Br2F3S9Sn and a molecular weight of 1975.32 g/mol. Its IUPAC name is 2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane.

Molecular Properties

Compound Name2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane
PubChem CID158908060
Molecular FormulaC101H137Br2F3S9Sn
Molecular Weight1975.32 g/mol
Exact Mass1972.55
IUPAC Name2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane
SMILESCCCCCCCCCCCCc1cc(-c2cc(CCCCCCCCCCCC)c(-c3ccc(-c4ccc(-c5ccc(F)cc5)s4)s3)s2)sc1-c1ccc(F)cc1.CCCCCCCCCCCCc1cc(-c2cc(CCCCCCCCCCCC)c(Br)s2)sc1Br.Cc1ccc(-c2ccc([Sn](C)(C)C)s2)s1.Cc1ccc(F)s1
InChIInChI=1S/C52H64F2S4.C32H52Br2S2.C9H7S2.C5H5FS.3CH3.Sn/c1-3-5-7-9-11-13-15-17-19-21-23-41-37-49(57-51(41)40-27-31-44(54)32-28-40)50-38-42(24-22-20-18-16-14-12-10-8-6-4-2)52(58-50)48-36-35-47(56-48)46-34-33-45(55-46)39-25-29-43(53)30-26-39;1-3-5-7-9-11-13-15-17-19-21-23-27-25-29(35-31(27)33)30-26-28(32(34)36-30)24-22-20-18-16-14-12-10-8-6-4-2;1-7-4-5-9(11-7)8-3-2-6-10-8;1-4-2-3-5(6)7-4;;;;/h25-38H,3-24H2,1-2H3;25-26H,3-24H2,1-2H3;2-5H,1H3;2-3H,1H3;3*1H3;
InChIKeyJGHJCIIPGGQQDR-UHFFFAOYSA-N
XLogP39.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds52
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001975.32
LogP ≤ 539.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane with MolForge

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Related Compounds

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CID 23522605

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane?
The IUPAC name of 2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane (CID 158908060) is 2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane.
What is the SMILES notation for 2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane?
The canonical SMILES for 2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane is CCCCCCCCCCCCc1cc(-c2cc(CCCCCCCCCCCC)c(-c3ccc(-c4ccc(-c5ccc(F)cc5)s4)s3)s2)sc1-c1ccc(F)cc1.CCCCCCCCCCCCc1cc(-c2cc(CCCCCCCCCCCC)c(Br)s2)sc1Br.Cc1ccc(-c2ccc([Sn](C)(C)C)s2)s1.Cc1ccc(F)s1.
What is the InChIKey of 2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane?
The InChIKey is JGHJCIIPGGQQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H64F2S4.C32H52Br2S2.C9H7S2.C5H5FS.3CH3.Sn/c1-3-5-7-9-11-13-15-17-19-21-23-41-37-49(57-51(41)40-27-31-44(54)32-28-40)50-38-42(24-22-20-18-16-14-12-10-8-6-4-2)52(58-50)48-36-35-47(56-48)46-34-33-45(55-46)39-25-29-43(53)30-26-39;1-3-5-7-9-11-13-15-17-19-21-23-27-25-29(35-31(27)33)30-26-28(32(34)36-30)24-22-20-18-16-14-12-10-8-6-4-2;1-7-4-5-9(11-7)8-3-2-6-10-8;1-4-2-3-5(6)7-4;;;;/h25-38H,3-24H2,1-2H3;25-26H,3-24H2,1-2H3;2-5H,1H3;2-3H,1H3;3*1H3;.
What are the key properties of 2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane?
2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane has a molecular weight of 1975.32 g/mol, XLogP of 39.93, 52 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene;3-dodecyl-5-[4-dodecyl-5-(4-fluorophenyl)thiophen-2-yl]-2-[5-[5-(4-fluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophene;2-fluoro-5-methylthiophene;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane is sourced from PubChem (CID 158908060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).