2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene

C120H134S6 — CID 101479733

IUPAC2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)s4)s3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CC(CC)CCCC)(CC(CC)CCCC)c5cc(-c7ccc(-c8ccc(-c9ccc%10c(c9)C(CCC)(CCC)c9ccccc9-%10)s8)s7)ccc5-6)s4)s3)cc21
InChIInChI=1S/C120H134S6/c1-13-25-33-79(21-9)75-119(76-80(22-10)34-26-14-2)101-71-85(107-55-61-113(123-107)111-59-53-105(121-111)83-41-47-91-89-37-29-31-39-97(89)117(65-17-5,66-18-6)99(91)69-83)43-49-93(101)95-51-45-87(73-103(95)119)109-57-63-115(125-109)116-64-58-110(126-116)88-46-52-96-94-50-44-86(72-102(94)120(104(96)74-88,77-81(23-11)35-27-15-3)78-82(24-12)36-28-16-4)108-56-62-114(124-108)112-60-54-106(122-112)84-42-48-92-90-38-30-32-40-98(90)118(67-19-7,68-20-8)100(92)70-84/h29-32,37-64,69-74,79-82H,13-28,33-36,65-68,75-78H2,1-12H3
InChIKeyIFTFBNFNFJIAOI-UHFFFAOYSA-N
MW1768.79 g/mol
LogP39.75
Rot. Bonds41

About 2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene

2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene (PubChem CID 101479733) has the molecular formula C120H134S6 and a molecular weight of 1768.79 g/mol. Its IUPAC name is 2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene
PubChem CID101479733
Molecular FormulaC120H134S6
Molecular Weight1768.79 g/mol
Exact Mass1766.88
IUPAC Name2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)s4)s3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CC(CC)CCCC)(CC(CC)CCCC)c5cc(-c7ccc(-c8ccc(-c9ccc%10c(c9)C(CCC)(CCC)c9ccccc9-%10)s8)s7)ccc5-6)s4)s3)cc21
InChIInChI=1S/C120H134S6/c1-13-25-33-79(21-9)75-119(76-80(22-10)34-26-14-2)101-71-85(107-55-61-113(123-107)111-59-53-105(121-111)83-41-47-91-89-37-29-31-39-97(89)117(65-17-5,66-18-6)99(91)69-83)43-49-93(101)95-51-45-87(73-103(95)119)109-57-63-115(125-109)116-64-58-110(126-116)88-46-52-96-94-50-44-86(72-102(94)120(104(96)74-88,77-81(23-11)35-27-15-3)78-82(24-12)36-28-16-4)108-56-62-114(124-108)112-60-54-106(122-112)84-42-48-92-90-38-30-32-40-98(90)118(67-19-7,68-20-8)100(92)70-84/h29-32,37-64,69-74,79-82H,13-28,33-36,65-68,75-78H2,1-12H3
InChIKeyIFTFBNFNFJIAOI-UHFFFAOYSA-N
XLogP39.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds41
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001768.79
LogP ≤ 539.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene with MolForge

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Related Compounds

2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene
CID 101479734
2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene
CID 101111092
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
2,5-bis[5-(9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophene
CID 71413070
2,5-bis(9,9-dioctylfluoren-2-yl)thiophene
CID 122383258
9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene
CID 101402218
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
[7-[10-[9,9-bis(2-ethylhexyl)-7-trimethylsilylfluoren-2-yl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-trimethylsilane
CID 102025480
2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene
CID 86093242
2,4,6-tris[4-[(E)-2-[9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,5-triazine
CID 102358497
5-[5-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500506
2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene
CID 23568230

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene (CID 101479733) is 2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene is CCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)s4)s3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CC(CC)CCCC)(CC(CC)CCCC)c5cc(-c7ccc(-c8ccc(-c9ccc%10c(c9)C(CCC)(CCC)c9ccccc9-%10)s8)s7)ccc5-6)s4)s3)cc21.
What is the InChIKey of 2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene?
The InChIKey is IFTFBNFNFJIAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H134S6/c1-13-25-33-79(21-9)75-119(76-80(22-10)34-26-14-2)101-71-85(107-55-61-113(123-107)111-59-53-105(121-111)83-41-47-91-89-37-29-31-39-97(89)117(65-17-5,66-18-6)99(91)69-83)43-49-93(101)95-51-45-87(73-103(95)119)109-57-63-115(125-109)116-64-58-110(126-116)88-46-52-96-94-50-44-86(72-102(94)120(104(96)74-88,77-81(23-11)35-27-15-3)78-82(24-12)36-28-16-4)108-56-62-114(124-108)112-60-54-106(122-112)84-42-48-92-90-38-30-32-40-98(90)118(67-19-7,68-20-8)100(92)70-84/h29-32,37-64,69-74,79-82H,13-28,33-36,65-68,75-78H2,1-12H3.
What are the key properties of 2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene?
2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene has a molecular weight of 1768.79 g/mol, XLogP of 39.75, 41 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 101479733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).