4,7-dibromo-6-methyl-5-octoxy-2,1,3-benzoxadiazole;(4,8-dioctyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;6-methyl-4-[6-[6-methyl-5-octoxy-4-(2-phenylthieno[3,2-b]thiophen-5-yl)-2,1,3-benzoxadiazol-7-yl]-4,8-dioctylthieno[2,3-f][1]benzothiol-2-yl]-5-octoxy-7-phenyl-2,1,3-benzoxadiazole;trimethyl-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)stannane

C133H182Br2N6O6S8Sn4 — CID 162223158

About 4,7-dibromo-6-methyl-5-octoxy-2,1,3-benzoxadiazole;(4,8-dioctyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;6-methyl-4-[6-[6-methyl-5-octoxy-4-(2-phenylthieno[3,2-b]thiophen-5-yl)-2,1,3-benzoxadiazol-7-yl]-4,8-dioctylthieno[2,3-f][1]benzothiol-2-yl]-5-octoxy-7-phenyl-2,1,3-benzoxadiazole;trimethyl-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)stannane

4,7-dibromo-6-methyl-5-octoxy-2,1,3-benzoxadiazole;(4,8-dioctyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;6-methyl-4-[6-[6-methyl-5-octoxy-4-(2-phenylthieno[3,2-b]thiophen-5-yl)-2,1,3-benzoxadiazol-7-yl]-4,8-dioctylthieno[2,3-f][1]benzothiol-2-yl]-5-octoxy-7-phenyl-2,1,3-benzoxadiazole;trimethyl-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)stannane (PubChem CID 162223158) has the molecular formula C133H182Br2N6O6S8Sn4 and a molecular weight of 2852.14 g/mol. Its IUPAC name is 4,7-dibromo-6-methyl-5-octoxy-2,1,3-benzoxadiazole;(4,8-dioctyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;6-methyl-4-[6-[6-methyl-5-octoxy-4-(2-phenylthieno[3,2-b]thiophen-5-yl)-2,1,3-benzoxadiazol-7-yl]-4,8-dioctylthieno[2,3-f][1]benzothiol-2-yl]-5-octoxy-7-phenyl-2,1,3-benzoxadiazole;trimethyl-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)stannane.

Molecular Properties

• Compound Name: 4,7-dibromo-6-methyl-5-octoxy-2,1,3-benzoxadiazole;(4,8-dioctyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;6-methyl-4-[6-[6-methyl-5-octoxy-4-(2-phenylthieno[3,2-b]thiophen-5-yl)-2,1,3-benzoxadiazol-7-yl]-4,8-dioctylthieno[2,3-f][1]benzothiol-2-yl]-5-octoxy-7-phenyl-2,1,3-benzoxadiazole;trimethyl-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)stannane
• PubChem CID: 162223158
• Molecular Formula: C133H182Br2N6O6S8Sn4
• Molecular Weight: 2852.14 g/mol
• Exact Mass: 2852.63
• IUPAC Name: 4,7-dibromo-6-methyl-5-octoxy-2,1,3-benzoxadiazole;(4,8-dioctyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;6-methyl-4-[6-[6-methyl-5-octoxy-4-(2-phenylthieno[3,2-b]thiophen-5-yl)-2,1,3-benzoxadiazol-7-yl]-4,8-dioctylthieno[2,3-f][1]benzothiol-2-yl]-5-octoxy-7-phenyl-2,1,3-benzoxadiazole;trimethyl-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)stannane
• SMILES: CCCCCCCCOc1c(C)c(-c2ccccc2)c2nonc2c1-c1cc2c(CCCCCCCC)c3sc(-c4c(C)c(OCCCCCCCC)c(-c5cc6sc(-c7ccccc7)cc6s5)c5nonc45)cc3c(CCCCCCCC)c2s1.CCCCCCCCOc1c(C)c(Br)c2nonc2c1Br.CCCCCCCCc1c2cc([Sn](C)(C)C)sc2c(CCCCCCCC)c2cc([Sn](C)(C)C)sc12.C[Sn](C)(C)c1cc2sc([Sn](C)(C)C)cc2s1
• InChI: InChI=1S/C74H88N4O4S4.C26H36S2.C15H20Br2N2O2.C6H2S2.12CH3.4Sn/c1-7-11-15-19-23-33-41-53-55-45-60(64-50(6)72(80-44-36-26-22-18-14-10-4)66(70-68(64)76-82-78-70)62-48-59-58(84-62)47-57(83-59)51-37-29-27-30-38-51)85-73(55)54(42-34-24-20-16-12-8-2)56-46-61(86-74(53)56)65-69-67(75-81-77-69)63(52-39-31-28-32-40-52)49(5)71(65)79-43-35-25-21-17-13-9-3;1-3-5-7-9-11-13-15-21-23-17-19-28-26(23)22(24-18-20-27-25(21)24)16-14-12-10-8-6-4-2;1-3-4-5-6-7-8-9-20-15-10(2)11(16)13-14(12(15)17)19-21-18-13;1-3-7-6-2-4-8-5(1)6;;;;;;;;;;;;;;;;/h27-32,37-40,45-48H,7-26,33-36,41-44H2,1-6H3;17-18H,3-16H2,1-2H3;3-9H2,1-2H3;1-2H;12*1H3
• InChIKey: ZUKDRUOMUWPYSH-UHFFFAOYSA-N
• XLogP: 45.56
• TPSA: 144.45 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 61
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2852.14
LogP ≤ 5	45.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,7-dibromo-6-methyl-5-octoxy-2,1,3-benzoxadiazole;(4,8-dioctyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;6-methyl-4-[6-[6-methyl-5-octoxy-4-(2-phenylthieno[3,2-b]thiophen-5-yl)-2,1,3-benzoxadiazol-7-yl]-4,8-dioctylthieno[2,3-f][1]benzothiol-2-yl]-5-octoxy-7-phenyl-2,1,3-benzoxadiazole;trimethyl-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)stannane?

The IUPAC name of 4,7-dibromo-6-methyl-5-octoxy-2,1,3-benzoxadiazole;(4,8-dioctyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;6-methyl-4-[6-[6-methyl-5-octoxy-4-(2-phenylthieno[3,2-b]thiophen-5-yl)-2,1,3-benzoxadiazol-7-yl]-4,8-dioctylthieno[2,3-f][1]benzothiol-2-yl]-5-octoxy-7-phenyl-2,1,3-benzoxadiazole;trimethyl-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)stannane (CID 162223158) is 4,7-dibromo-6-methyl-5-octoxy-2,1,3-benzoxadiazole;(4,8-dioctyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;6-methyl-4-[6-[6-methyl-5-octoxy-4-(2-phenylthieno[3,2-b]thiophen-5-yl)-2,1,3-benzoxadiazol-7-yl]-4,8-dioctylthieno[2,3-f][1]benzothiol-2-yl]-5-octoxy-7-phenyl-2,1,3-benzoxadiazole;trimethyl-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)stannane.

What is the SMILES notation for 4,7-dibromo-6-methyl-5-octoxy-2,1,3-benzoxadiazole;(4,8-dioctyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;6-methyl-4-[6-[6-methyl-5-octoxy-4-(2-phenylthieno[3,2-b]thiophen-5-yl)-2,1,3-benzoxadiazol-7-yl]-4,8-dioctylthieno[2,3-f][1]benzothiol-2-yl]-5-octoxy-7-phenyl-2,1,3-benzoxadiazole;trimethyl-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)stannane?

The canonical SMILES for 4,7-dibromo-6-methyl-5-octoxy-2,1,3-benzoxadiazole;(4,8-dioctyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;6-methyl-4-[6-[6-methyl-5-octoxy-4-(2-phenylthieno[3,2-b]thiophen-5-yl)-2,1,3-benzoxadiazol-7-yl]-4,8-dioctylthieno[2,3-f][1]benzothiol-2-yl]-5-octoxy-7-phenyl-2,1,3-benzoxadiazole;trimethyl-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)stannane is CCCCCCCCOc1c(C)c(-c2ccccc2)c2nonc2c1-c1cc2c(CCCCCCCC)c3sc(-c4c(C)c(OCCCCCCCC)c(-c5cc6sc(-c7ccccc7)cc6s5)c5nonc45)cc3c(CCCCCCCC)c2s1.CCCCCCCCOc1c(C)c(Br)c2nonc2c1Br.CCCCCCCCc1c2cc([Sn](C)(C)C)sc2c(CCCCCCCC)c2cc([Sn](C)(C)C)sc12.C[Sn](C)(C)c1cc2sc([Sn](C)(C)C)cc2s1.

What is the InChIKey of 4,7-dibromo-6-methyl-5-octoxy-2,1,3-benzoxadiazole;(4,8-dioctyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;6-methyl-4-[6-[6-methyl-5-octoxy-4-(2-phenylthieno[3,2-b]thiophen-5-yl)-2,1,3-benzoxadiazol-7-yl]-4,8-dioctylthieno[2,3-f][1]benzothiol-2-yl]-5-octoxy-7-phenyl-2,1,3-benzoxadiazole;trimethyl-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)stannane?

The InChIKey is ZUKDRUOMUWPYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H88N4O4S4.C26H36S2.C15H20Br2N2O2.C6H2S2.12CH3.4Sn/c1-7-11-15-19-23-33-41-53-55-45-60(64-50(6)72(80-44-36-26-22-18-14-10-4)66(70-68(64)76-82-78-70)62-48-59-58(84-62)47-57(83-59)51-37-29-27-30-38-51)85-73(55)54(42-34-24-20-16-12-8-2)56-46-61(86-74(53)56)65-69-67(75-81-77-69)63(52-39-31-28-32-40-52)49(5)71(65)79-43-35-25-21-17-13-9-3;1-3-5-7-9-11-13-15-21-23-17-19-28-26(23)22(24-18-20-27-25(21)24)16-14-12-10-8-6-4-2;1-3-4-5-6-7-8-9-20-15-10(2)11(16)13-14(12(15)17)19-21-18-13;1-3-7-6-2-4-8-5(1)6;;;;;;;;;;;;;;;;/h27-32,37-40,45-48H,7-26,33-36,41-44H2,1-6H3;17-18H,3-16H2,1-2H3;3-9H2,1-2H3;1-2H;12*1H3;;;;.

What are the key properties of 4,7-dibromo-6-methyl-5-octoxy-2,1,3-benzoxadiazole;(4,8-dioctyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;6-methyl-4-[6-[6-methyl-5-octoxy-4-(2-phenylthieno[3,2-b]thiophen-5-yl)-2,1,3-benzoxadiazol-7-yl]-4,8-dioctylthieno[2,3-f][1]benzothiol-2-yl]-5-octoxy-7-phenyl-2,1,3-benzoxadiazole;trimethyl-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)stannane?

4,7-dibromo-6-methyl-5-octoxy-2,1,3-benzoxadiazole;(4,8-dioctyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;6-methyl-4-[6-[6-methyl-5-octoxy-4-(2-phenylthieno[3,2-b]thiophen-5-yl)-2,1,3-benzoxadiazol-7-yl]-4,8-dioctylthieno[2,3-f][1]benzothiol-2-yl]-5-octoxy-7-phenyl-2,1,3-benzoxadiazole;trimethyl-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)stannane has a molecular weight of 2852.14 g/mol, XLogP of 45.56, 61 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-dibromo-6-methyl-5-octoxy-2,1,3-benzoxadiazole;(4,8-dioctyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;6-methyl-4-[6-[6-methyl-5-octoxy-4-(2-phenylthieno[3,2-b]thiophen-5-yl)-2,1,3-benzoxadiazol-7-yl]-4,8-dioctylthieno[2,3-f][1]benzothiol-2-yl]-5-octoxy-7-phenyl-2,1,3-benzoxadiazole;trimethyl-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)stannane is sourced from PubChem (CID 162223158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).