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

C49H44Br2S6 — CID 102154439

IUPAC2-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
SMILESCCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(-c5ccc(Br)s5)s4)s3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(Br)s5)s4)s3)cc21
InChIInChI=1S/C49H44Br2S6/c1-3-5-7-9-27-49(28-10-8-6-4-2)35-29-31(37-15-17-39(52-37)41-19-21-43(54-41)45-23-25-47(50)56-45)11-13-33(35)34-14-12-32(30-36(34)49)38-16-18-40(53-38)42-20-22-44(55-42)46-24-26-48(51)57-46/h11-26,29-30H,3-10,27-28H2,1-2H3
InChIKeyQYQMGTWMWYSRAM-UHFFFAOYSA-N
MW985.10 g/mol
LogP19.79
Rot. Bonds16

About 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

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 (PubChem CID 102154439) has the molecular formula C49H44Br2S6 and a molecular weight of 985.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID102154439
Molecular FormulaC49H44Br2S6
Molecular Weight985.10 g/mol
Exact Mass982.01
IUPAC Name2-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
SMILESCCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(-c5ccc(Br)s5)s4)s3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(Br)s5)s4)s3)cc21
InChIInChI=1S/C49H44Br2S6/c1-3-5-7-9-27-49(28-10-8-6-4-2)35-29-31(37-15-17-39(52-37)41-19-21-43(54-41)45-23-25-47(50)56-45)11-13-33(35)34-14-12-32(30-36(34)49)38-16-18-40(53-38)42-20-22-44(55-42)46-24-26-48(51)57-46/h11-26,29-30H,3-10,27-28H2,1-2H3
InChIKeyQYQMGTWMWYSRAM-UHFFFAOYSA-N
XLogP19.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.10
LogP ≤ 519.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
2-[9,9-didecyl-7-(5-methylthiophen-2-yl)fluoren-2-yl]-5-methylthiophene
CID 21350992
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-dihexyl-7-[5-(4-methylphenyl)thiophen-2-yl]fluoren-2-yl]-5-phenylthiophene
CID 132550965
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
2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 159312204
5-[7-(5-formylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophene-2-carbaldehyde
CID 90059203
5-[7-(5-carboxythiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophene-2-carboxylic acid
CID 101211871
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(-c5ccc(Br)s5)s4)s3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(Br)s5)s4)s3)cc21.
What is the InChIKey of 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?
The InChIKey is QYQMGTWMWYSRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44Br2S6/c1-3-5-7-9-27-49(28-10-8-6-4-2)35-29-31(37-15-17-39(52-37)41-19-21-43(54-41)45-23-25-47(50)56-45)11-13-33(35)34-14-12-32(30-36(34)49)38-16-18-40(53-38)42-20-22-44(55-42)46-24-26-48(51)57-46/h11-26,29-30H,3-10,27-28H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 985.10 g/mol, XLogP of 19.79, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102154439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).