2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

C36H49BrS4 — CID 24746553

IUPAC2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCCCCCCCCCC(CCCCCCCC)Cc1ccc(-c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)s1
InChIInChI=1S/C36H49BrS4/c1-3-5-7-9-11-12-14-16-18-28(17-15-13-10-8-6-4-2)27-29-19-20-30(38-29)31-21-22-32(39-31)33-23-24-34(40-33)35-25-26-36(37)41-35/h19-26,28H,3-18,27H2,1-2H3
InChIKeyYDHBIKHZPVXSDJ-UHFFFAOYSA-N
MW689.96 g/mol
LogP15.14
Rot. Bonds21

About 2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 24746553) has the molecular formula C36H49BrS4 and a molecular weight of 689.96 g/mol. Its IUPAC name is 2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID24746553
Molecular FormulaC36H49BrS4
Molecular Weight689.96 g/mol
Exact Mass688.19
IUPAC Name2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCCCCCCCCCC(CCCCCCCC)Cc1ccc(-c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)s1
InChIInChI=1S/C36H49BrS4/c1-3-5-7-9-11-12-14-16-18-28(17-15-13-10-8-6-4-2)27-29-19-20-30(38-29)31-21-22-32(39-31)33-23-24-34(40-33)35-25-26-36(37)41-35/h19-26,28H,3-18,27H2,1-2H3
InChIKeyYDHBIKHZPVXSDJ-UHFFFAOYSA-N
XLogP15.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.96
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-icosyl-5-[5-(2-octyldodecyl)thiophen-2-yl]thiophene
CID 24746555
2,6-dibromo-4,8-bis[5-(2-ethyloctyl)thiophen-2-yl]thieno[2,3-f][1]benzothiole
CID 155668259
1,4-bis[5-(5-bromothiophen-2-yl)thiophen-2-yl]-2,5-bis(2-decyltetradecyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 58098315
4,8-bis[5-(2-butyloctyl)thiophen-2-yl]thieno[2,3-f][1]benzothiole
CID 127255921
4-[5-(2-hexyldecyl)thiophen-2-yl]-5-[5-(2-methyldecyl)thiophen-2-yl]thieno[3,2-g][1]benzothiole
CID 58098925
2-bromo-5-[2-(chloromethyl)pentyl]thiophene
CID 66036110
2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 132553170
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane
CID 140776373
2-[(5-bromothiophen-2-yl)methyl]-N-methyloctanamide
CID 67148163
2-bromo-5-[6-(5-bromothiophen-2-yl)-1,5-bis(2-decyltetradecoxy)naphthalen-2-yl]thiophene
CID 132516264
4-(5-bromothiophen-2-yl)-5-(2-hexyldecyl)-2-(2-hexylnonyl)-1-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione
CID 123572038

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (CID 24746553) is 2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is CCCCCCCCCCC(CCCCCCCC)Cc1ccc(-c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)s1.
What is the InChIKey of 2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is YDHBIKHZPVXSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H49BrS4/c1-3-5-7-9-11-12-14-16-18-28(17-15-13-10-8-6-4-2)27-29-19-20-30(38-29)31-21-22-32(39-31)33-23-24-34(40-33)35-25-26-36(37)41-35/h19-26,28H,3-18,27H2,1-2H3.
What are the key properties of 2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 689.96 g/mol, XLogP of 15.14, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 24746553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).