2-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-5-[7-[5-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene

C117H130O2S6 — CID 102526876

About 2-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-5-[7-[5-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene

2-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-5-[7-[5-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene (PubChem CID 102526876) has the molecular formula C117H130O2S6 and a molecular weight of 1760.73 g/mol. Its IUPAC name is 2-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-5-[7-[5-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene.

Molecular Properties

• Compound Name: 2-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-5-[7-[5-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene
• PubChem CID: 102526876
• Molecular Formula: C117H130O2S6
• Molecular Weight: 1760.73 g/mol
• Exact Mass: 1758.84
• IUPAC Name: 2-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-5-[7-[5-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(-c7ccc(-c8ccc(OC)cc8)s7)ccc5-6)s4)s3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(-c7ccc(-c8ccc(OC)cc8)s7)ccc5-6)s4)s3)cc21
• InChI: InChI=1S/C117H130O2S6/c1-9-15-21-27-29-35-73-117(74-36-30-28-22-16-10-2)101-79-87(109-63-67-113(124-109)111-65-61-107(122-111)85-43-53-93-91-51-41-83(105-59-57-103(120-105)81-37-47-89(118-7)48-38-81)75-97(91)115(99(93)77-85,69-31-23-17-11-3)70-32-24-18-12-4)45-55-95(101)96-56-46-88(80-102(96)117)110-64-68-114(125-110)112-66-62-108(123-112)86-44-54-94-92-52-42-84(106-60-58-104(121-106)82-39-49-90(119-8)50-40-82)76-98(92)116(100(94)78-86,71-33-25-19-13-5)72-34-26-20-14-6/h37-68,75-80H,9-36,69-74H2,1-8H3
• InChIKey: FHLHZVDETZSBSG-UHFFFAOYSA-N
• XLogP: 38.93
• TPSA: 18.46 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 46
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1760.73
LogP ≤ 5	38.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-5-[7-[5-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene?

The IUPAC name of 2-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-5-[7-[5-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene (CID 102526876) is 2-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-5-[7-[5-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene.

What is the SMILES notation for 2-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-5-[7-[5-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene?

The canonical SMILES for 2-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-5-[7-[5-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(-c7ccc(-c8ccc(OC)cc8)s7)ccc5-6)s4)s3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(-c7ccc(-c8ccc(OC)cc8)s7)ccc5-6)s4)s3)cc21.

What is the InChIKey of 2-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-5-[7-[5-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene?

The InChIKey is FHLHZVDETZSBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H130O2S6/c1-9-15-21-27-29-35-73-117(74-36-30-28-22-16-10-2)101-79-87(109-63-67-113(124-109)111-65-61-107(122-111)85-43-53-93-91-51-41-83(105-59-57-103(120-105)81-37-47-89(118-7)48-38-81)75-97(91)115(99(93)77-85,69-31-23-17-11-3)70-32-24-18-12-4)45-55-95(101)96-56-46-88(80-102(96)117)110-64-68-114(125-110)112-66-62-108(123-112)86-44-54-94-92-52-42-84(106-60-58-104(121-106)82-39-49-90(119-8)50-40-82)76-98(92)116(100(94)78-86,71-33-25-19-13-5)72-34-26-20-14-6/h37-68,75-80H,9-36,69-74H2,1-8H3.

What are the key properties of 2-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-5-[7-[5-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene?

2-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-5-[7-[5-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene has a molecular weight of 1760.73 g/mol, XLogP of 38.93, 46 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-5-[7-[5-[5-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene is sourced from PubChem (CID 102526876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).