2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

C83H92S10 — CID 159312204

About 2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 159312204) has the molecular formula C83H92S10 and a molecular weight of 1410.32 g/mol. Its IUPAC name is 2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

• Compound Name: 2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
• PubChem CID: 159312204
• Molecular Formula: C83H92S10
• Molecular Weight: 1410.32 g/mol
• Exact Mass: 1408.44
• IUPAC Name: 2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(C)s3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(CCCCCC)s7)s6)s5)s4)s3)cc21.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C)s4)s3)s2)s1
• InChI: InChI=1S/C60H68S6.C23H24S4/c1-5-8-11-14-16-19-38-60(39-20-17-15-12-9-6-2)48-40-43(50-28-22-42(4)61-50)23-26-46(48)47-27-24-44(41-49(47)60)51-30-31-54(63-51)55-34-35-58(65-55)59-37-36-57(66-59)56-33-32-53(64-56)52-29-25-45(62-52)21-18-13-10-7-3;1-3-4-5-6-7-17-9-11-19(25-17)21-13-15-23(27-21)22-14-12-20(26-22)18-10-8-16(2)24-18/h22-37,40-41H,5-21,38-39H2,1-4H3;8-15H,3-7H2,1-2H3
• InChIKey: LCROAEQBGYQWNG-UHFFFAOYSA-N
• XLogP: 31.62
• TPSA: 0.00 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 33
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1410.32
LogP ≤ 5	31.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?

The IUPAC name of 2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (CID 159312204) is 2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.

What is the SMILES notation for 2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?

The canonical SMILES for 2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(C)s3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(CCCCCC)s7)s6)s5)s4)s3)cc21.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C)s4)s3)s2)s1.

What is the InChIKey of 2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?

The InChIKey is LCROAEQBGYQWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H68S6.C23H24S4/c1-5-8-11-14-16-19-38-60(39-20-17-15-12-9-6-2)48-40-43(50-28-22-42(4)61-50)23-26-46(48)47-27-24-44(41-49(47)60)51-30-31-54(63-51)55-34-35-58(65-55)59-37-36-57(66-59)56-33-32-53(64-56)52-29-25-45(62-52)21-18-13-10-7-3;1-3-4-5-6-7-17-9-11-19(25-17)21-13-15-23(27-21)22-14-12-20(26-22)18-10-8-16(2)24-18/h22-37,40-41H,5-21,38-39H2,1-4H3;8-15H,3-7H2,1-2H3.

What are the key properties of 2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?

2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 1410.32 g/mol, XLogP of 31.62, 33 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 159312204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).