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

C83H90S4 — CID 101479734

IUPAC2-(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
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(CCC)(CCC)c5ccccc5-6)s4)s3)cc21
InChIInChI=1S/C83H90S4/c1-9-17-23-55(15-7)53-83(54-56(16-8)24-18-10-2)71-51-59(75-39-43-79(86-75)77-41-37-73(84-77)57-29-33-63-61-25-19-21-27-67(61)81(45-11-3,46-12-4)69(63)49-57)31-35-65(71)66-36-32-60(52-72(66)83)76-40-44-80(87-76)78-42-38-74(85-78)58-30-34-64-62-26-20-22-28-68(62)82(47-13-5,48-14-6)70(64)50-58/h19-22,25-44,49-52,55-56H,9-18,23-24,45-48,53-54H2,1-8H3
InChIKeyYAVRLZKWUFZYTF-UHFFFAOYSA-N
MW1215.90 g/mol
LogP27.15
Rot. Bonds26

About 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

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 (PubChem CID 101479734) has the molecular formula C83H90S4 and a molecular weight of 1215.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID101479734
Molecular FormulaC83H90S4
Molecular Weight1215.90 g/mol
Exact Mass1214.59
IUPAC Name2-(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
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(CCC)(CCC)c5ccccc5-6)s4)s3)cc21
InChIInChI=1S/C83H90S4/c1-9-17-23-55(15-7)53-83(54-56(16-8)24-18-10-2)71-51-59(75-39-43-79(86-75)77-41-37-73(84-77)57-29-33-63-61-25-19-21-27-67(61)81(45-11-3,46-12-4)69(63)49-57)31-35-65(71)66-36-32-60(52-72(66)83)76-40-44-80(87-76)78-42-38-74(85-78)58-30-34-64-62-26-20-22-28-68(62)82(47-13-5,48-14-6)70(64)50-58/h19-22,25-44,49-52,55-56H,9-18,23-24,45-48,53-54H2,1-8H3
InChIKeyYAVRLZKWUFZYTF-UHFFFAOYSA-N
XLogP27.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001215.90
LogP ≤ 527.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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-(9,9-dipropylfluoren-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-(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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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(CCC)(CCC)c5ccccc5-6)s4)s3)cc21.
What is the InChIKey of 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?
The InChIKey is YAVRLZKWUFZYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H90S4/c1-9-17-23-55(15-7)53-83(54-56(16-8)24-18-10-2)71-51-59(75-39-43-79(86-75)77-41-37-73(84-77)57-29-33-63-61-25-19-21-27-67(61)81(45-11-3,46-12-4)69(63)49-57)31-35-65(71)66-36-32-60(52-72(66)83)76-40-44-80(87-76)78-42-38-74(85-78)58-30-34-64-62-26-20-22-28-68(62)82(47-13-5,48-14-6)70(64)50-58/h19-22,25-44,49-52,55-56H,9-18,23-24,45-48,53-54H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1215.90 g/mol, XLogP of 27.15, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 101479734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).