2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

C74H78S6 — CID 102074609

About 2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 102074609) has the molecular formula C74H78S6 and a molecular weight of 1159.84 g/mol. Its IUPAC name is 2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

• Compound Name: 2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
• PubChem CID: 102074609
• Molecular Formula: C74H78S6
• Molecular Weight: 1159.84 g/mol
• Exact Mass: 1158.44
• IUPAC Name: 2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
• SMILES: CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9ccc%10c(c9)C(CCCCCC)(CCCCCC)c9ccccc9-%10)s8)s7)s6)s5)s4)s3)cc21
• InChI: InChI=1S/C74H78S6/c1-5-9-13-21-45-73(46-22-14-10-6-2)57-27-19-17-25-53(57)55-31-29-51(49-59(55)73)61-33-35-63(75-61)65-37-39-67(77-65)69-41-43-71(79-69)72-44-42-70(80-72)68-40-38-66(78-68)64-36-34-62(76-64)52-30-32-56-54-26-18-20-28-58(54)74(60(56)50-52,47-23-15-11-7-3)48-24-16-12-8-4/h17-20,25-44,49-50H,5-16,21-24,45-48H2,1-4H3
• InChIKey: VSUPAMBMQBCOBX-UHFFFAOYSA-N
• XLogP: 26.14
• TPSA: 0.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 27
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1159.84
LogP ≤ 5	26.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?

The IUPAC name of 2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (CID 102074609) is 2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.

What is the SMILES notation for 2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?

The canonical SMILES for 2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9ccc%10c(c9)C(CCCCCC)(CCCCCC)c9ccccc9-%10)s8)s7)s6)s5)s4)s3)cc21.

What is the InChIKey of 2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?

The InChIKey is VSUPAMBMQBCOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H78S6/c1-5-9-13-21-45-73(46-22-14-10-6-2)57-27-19-17-25-53(57)55-31-29-51(49-59(55)73)61-33-35-63(75-61)65-37-39-67(77-65)69-41-43-71(79-69)72-44-42-70(80-72)68-40-38-66(78-68)64-36-34-62(76-64)52-30-32-56-54-26-18-20-28-58(54)74(60(56)50-52,47-23-15-11-7-3)48-24-16-12-8-4/h17-20,25-44,49-50H,5-16,21-24,45-48H2,1-4H3.

What are the key properties of 2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?

2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 1159.84 g/mol, XLogP of 26.14, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 102074609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).