2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane

C106H137BrS4Sn2 — CID 159218706

IUPAC2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane
SMILESBrc1ccc2cc3ccccc3cc2c1.CCCCCCc1cc(-c2sc(-c3ccc4cc5ccccc5cc4c3)cc2CCCCCC)sc1-c1ccc2cc3ccccc3cc2c1.CCCCCCc1cc([Sn](CCCC)(CCCC)CCCC)sc1-c1cc(CCCCCC)c([Sn](CCCC)(CCCC)CCCC)s1
InChIInChI=1S/C48H46S2.C20H28S2.C14H9Br.6C4H9.2Sn/c1-3-5-7-9-19-40-32-46(50-47(40)42-24-22-38-26-34-16-12-14-18-36(34)28-44(38)30-42)48-41(20-10-8-6-4-2)31-45(49-48)39-23-21-37-25-33-15-11-13-17-35(33)27-43(37)29-39;1-3-5-7-9-11-17-15-19(22-16-17)20-18(13-14-21-20)12-10-8-6-4-2;15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14;6*1-3-4-2;;/h11-18,21-32H,3-10,19-20H2,1-2H3;13,15H,3-12H2,1-2H3;1-9H;6*1,3-4H2,2H3;;
InChIKeyKRKIPRJXGPNQRP-UHFFFAOYSA-N
MW1856.86 g/mol
LogP36.26
Rot. Bonds44

About 2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane

2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane (PubChem CID 159218706) has the molecular formula C106H137BrS4Sn2 and a molecular weight of 1856.86 g/mol. Its IUPAC name is 2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane.

Molecular Properties

Compound Name2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane
PubChem CID159218706
Molecular FormulaC106H137BrS4Sn2
Molecular Weight1856.86 g/mol
Exact Mass1856.68
IUPAC Name2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane
SMILESBrc1ccc2cc3ccccc3cc2c1.CCCCCCc1cc(-c2sc(-c3ccc4cc5ccccc5cc4c3)cc2CCCCCC)sc1-c1ccc2cc3ccccc3cc2c1.CCCCCCc1cc([Sn](CCCC)(CCCC)CCCC)sc1-c1cc(CCCCCC)c([Sn](CCCC)(CCCC)CCCC)s1
InChIInChI=1S/C48H46S2.C20H28S2.C14H9Br.6C4H9.2Sn/c1-3-5-7-9-19-40-32-46(50-47(40)42-24-22-38-26-34-16-12-14-18-36(34)28-44(38)30-42)48-41(20-10-8-6-4-2)31-45(49-48)39-23-21-37-25-33-15-11-13-17-35(33)27-43(37)29-39;1-3-5-7-9-11-17-15-19(22-16-17)20-18(13-14-21-20)12-10-8-6-4-2;15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14;6*1-3-4-2;;/h11-18,21-32H,3-10,19-20H2,1-2H3;13,15H,3-12H2,1-2H3;1-9H;6*1,3-4H2,2H3;;
InChIKeyKRKIPRJXGPNQRP-UHFFFAOYSA-N
XLogP36.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds44
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001856.86
LogP ≤ 536.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-[6-(5-bromo-4-octylthiophen-2-yl)naphthalen-2-yl]-3-octylthiophene
CID 141251586
2-[5-(3-fluorophenyl)-4-hexylthiophen-2-yl]-5-[5-[5-(3-fluorophenyl)-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]-3-hexylthiophene
CID 58090528
3-hexyl-2-[5-[5-[4-hexyl-5-[4-hexyl-5-[5-[5-(4-hexyl-5-phenylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-phenylthiophene
CID 59515125
3-hexyl-5-phenyl-2-thiophen-2-ylthiophene
CID 132551010
4,5-diheptyl-2,7-dinaphthalen-2-ylthieno[3,2-g][1]benzothiole
CID 68615842
3-dodecyl-2-naphthalen-2-ylthiophene
CID 173129143
2,3-diheptylanthracene
CID 14089075
2,3-dioctadecylpentacene
CID 91251003
[4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 170898127
2-bromo-5-[5-[5-[5-[5-(5-bromo-4-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-3-hexylthiophene
CID 102588392
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
CID 15363325

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane?
The IUPAC name of 2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane (CID 159218706) is 2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane.
What is the SMILES notation for 2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane?
The canonical SMILES for 2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane is Brc1ccc2cc3ccccc3cc2c1.CCCCCCc1cc(-c2sc(-c3ccc4cc5ccccc5cc4c3)cc2CCCCCC)sc1-c1ccc2cc3ccccc3cc2c1.CCCCCCc1cc([Sn](CCCC)(CCCC)CCCC)sc1-c1cc(CCCCCC)c([Sn](CCCC)(CCCC)CCCC)s1.
What is the InChIKey of 2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane?
The InChIKey is KRKIPRJXGPNQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46S2.C20H28S2.C14H9Br.6C4H9.2Sn/c1-3-5-7-9-19-40-32-46(50-47(40)42-24-22-38-26-34-16-12-14-18-36(34)28-44(38)30-42)48-41(20-10-8-6-4-2)31-45(49-48)39-23-21-37-25-33-15-11-13-17-35(33)27-43(37)29-39;1-3-5-7-9-11-17-15-19(22-16-17)20-18(13-14-21-20)12-10-8-6-4-2;15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14;6*1-3-4-2;;/h11-18,21-32H,3-10,19-20H2,1-2H3;13,15H,3-12H2,1-2H3;1-9H;6*1,3-4H2,2H3;;.
What are the key properties of 2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane?
2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane has a molecular weight of 1856.86 g/mol, XLogP of 36.26, 44 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-2-yl-5-(5-anthracen-2-yl-3-hexylthiophen-2-yl)-3-hexylthiophene;2-bromoanthracene;tributyl-[3-hexyl-5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]stannane is sourced from PubChem (CID 159218706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).