2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene

C139H174O2S6 — CID 102048532

IUPAC2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene
SMILESCCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(-c5ccc(-c6ccc(-c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7cc(-c9ccc(-c%10ccc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11cc(-c%13ccc(-c%14ccc(OCCCCCCCC)cc%14)s%13)ccc%11-%12)s%10)s9)ccc7-8)s6)s5)ccc3-4)s2)cc1
InChIInChI=1S/C139H174O2S6/c1-9-17-25-33-41-49-89-137(90-50-42-34-26-18-10-2)119-97-105(127-79-77-125(142-127)103-57-67-111(68-58-103)140-95-55-47-39-31-23-15-7)61-71-113(119)115-73-63-107(99-121(115)137)129-81-85-133(144-129)135-87-83-131(146-135)109-65-75-117-118-76-66-110(102-124(118)139(123(117)101-109,93-53-45-37-29-21-13-5)94-54-46-38-30-22-14-6)132-84-88-136(147-132)134-86-82-130(145-134)108-64-74-116-114-72-62-106(128-80-78-126(143-128)104-59-69-112(70-60-104)141-96-56-48-40-32-24-16-8)98-120(114)138(122(116)100-108,91-51-43-35-27-19-11-3)92-52-44-36-28-20-12-4/h57-88,97-102H,9-56,89-96H2,1-8H3
InChIKeyNZZBQYFWEVPOBD-UHFFFAOYSA-N
MW2069.32 g/mol
LogP47.51
Rot. Bonds68

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

2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene (PubChem CID 102048532) has the molecular formula C139H174O2S6 and a molecular weight of 2069.32 g/mol. Its IUPAC name is 2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene.

Molecular Properties

Compound Name2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene
PubChem CID102048532
Molecular FormulaC139H174O2S6
Molecular Weight2069.32 g/mol
Exact Mass2067.18
IUPAC Name2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene
SMILESCCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(-c5ccc(-c6ccc(-c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7cc(-c9ccc(-c%10ccc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11cc(-c%13ccc(-c%14ccc(OCCCCCCCC)cc%14)s%13)ccc%11-%12)s%10)s9)ccc7-8)s6)s5)ccc3-4)s2)cc1
InChIInChI=1S/C139H174O2S6/c1-9-17-25-33-41-49-89-137(90-50-42-34-26-18-10-2)119-97-105(127-79-77-125(142-127)103-57-67-111(68-58-103)140-95-55-47-39-31-23-15-7)61-71-113(119)115-73-63-107(99-121(115)137)129-81-85-133(144-129)135-87-83-131(146-135)109-65-75-117-118-76-66-110(102-124(118)139(123(117)101-109,93-53-45-37-29-21-13-5)94-54-46-38-30-22-14-6)132-84-88-136(147-132)134-86-82-130(145-134)108-64-74-116-114-72-62-106(128-80-78-126(143-128)104-59-69-112(70-60-104)141-96-56-48-40-32-24-16-8)98-120(114)138(122(116)100-108,91-51-43-35-27-19-11-3)92-52-44-36-28-20-12-4/h57-88,97-102H,9-56,89-96H2,1-8H3
InChIKeyNZZBQYFWEVPOBD-UHFFFAOYSA-N
XLogP47.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds68
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002069.32
LogP ≤ 547.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene with MolForge

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Related Compounds

2-(7-methyl-9,9-dioctylfluoren-2-yl)-5-(4-octoxyphenyl)thiophene
CID 71079155
2-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]-5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene
CID 137380526
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
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
2-bromo-5-[5-[5-[7-[5-[5-(5-bromothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-dihexylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 102154439
2,5-bis[5-(9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophene
CID 71413070
2-(4-octoxyphenyl)-5-[5-(4-octoxyphenyl)thiophen-2-yl]thiophene
CID 59027319
2-[9,9-dihexyl-7-[5-(4-methylphenyl)thiophen-2-yl]fluoren-2-yl]-5-phenylthiophene
CID 132550965
2,5-bis(9,9-dioctylfluoren-2-yl)thiophene
CID 122383258
penta-1,4-dien-3-yl 9-[4-[5-[7-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]nonanoate
CID 58667658
8-[4-[5-[7-[5-[4-[8-(2-methylprop-2-enoyloxy)octoxy]phenyl]thiophen-2-yl]-9,9-dipropylfluoren-2-yl]thiophen-2-yl]phenoxy]octyl 2-methylprop-2-enoate
CID 101166959
2-(9,9-dihexyl-7-thiophen-2-ylfluoren-2-yl)-5-(4-methoxyphenyl)thiophene
CID 137380529

Frequently Asked Questions

What is the IUPAC name of 2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene?
The IUPAC name of 2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene (CID 102048532) is 2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene.
What is the SMILES notation for 2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene?
The canonical SMILES for 2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene is CCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(-c5ccc(-c6ccc(-c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7cc(-c9ccc(-c%10ccc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11cc(-c%13ccc(-c%14ccc(OCCCCCCCC)cc%14)s%13)ccc%11-%12)s%10)s9)ccc7-8)s6)s5)ccc3-4)s2)cc1.
What is the InChIKey of 2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene?
The InChIKey is NZZBQYFWEVPOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C139H174O2S6/c1-9-17-25-33-41-49-89-137(90-50-42-34-26-18-10-2)119-97-105(127-79-77-125(142-127)103-57-67-111(68-58-103)140-95-55-47-39-31-23-15-7)61-71-113(119)115-73-63-107(99-121(115)137)129-81-85-133(144-129)135-87-83-131(146-135)109-65-75-117-118-76-66-110(102-124(118)139(123(117)101-109,93-53-45-37-29-21-13-5)94-54-46-38-30-22-14-6)132-84-88-136(147-132)134-86-82-130(145-134)108-64-74-116-114-72-62-106(128-80-78-126(143-128)104-59-69-112(70-60-104)141-96-56-48-40-32-24-16-8)98-120(114)138(122(116)100-108,91-51-43-35-27-19-11-3)92-52-44-36-28-20-12-4/h57-88,97-102H,9-56,89-96H2,1-8H3.
What are the key properties of 2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene?
2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene has a molecular weight of 2069.32 g/mol, XLogP of 47.51, 68 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene is sourced from PubChem (CID 102048532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).