2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene

C47H52OS6 — CID 59288539

IUPAC2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene
SMILESCCCCCCc1cc(-c2ccc(C)cc2)sc1-c1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccc(CCOCC)s5)s4)cc3CCCCCC)s2)s1
InChIInChI=1S/C47H52OS6/c1-5-8-10-12-14-34-30-44(33-18-16-32(4)17-19-33)53-46(34)42-26-24-39(51-42)40-25-27-43(52-40)47-35(15-13-11-9-6-2)31-45(54-47)41-23-22-38(50-41)37-21-20-36(49-37)28-29-48-7-3/h16-27,30-31H,5-15,28-29H2,1-4H3
InChIKeyPRNCIDGYYSOMKH-UHFFFAOYSA-N
MW825.33 g/mol
LogP17.19
Rot. Bonds20

About 2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene

2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene (PubChem CID 59288539) has the molecular formula C47H52OS6 and a molecular weight of 825.33 g/mol. Its IUPAC name is 2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene.

Molecular Properties

Compound Name2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene
PubChem CID59288539
Molecular FormulaC47H52OS6
Molecular Weight825.33 g/mol
Exact Mass824.23
IUPAC Name2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene
SMILESCCCCCCc1cc(-c2ccc(C)cc2)sc1-c1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccc(CCOCC)s5)s4)cc3CCCCCC)s2)s1
InChIInChI=1S/C47H52OS6/c1-5-8-10-12-14-34-30-44(33-18-16-32(4)17-19-33)53-46(34)42-26-24-39(51-42)40-25-27-43(52-40)47-35(15-13-11-9-6-2)31-45(54-47)41-23-22-38(50-41)37-21-20-36(49-37)28-29-48-7-3/h16-27,30-31H,5-15,28-29H2,1-4H3
InChIKeyPRNCIDGYYSOMKH-UHFFFAOYSA-N
XLogP17.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.33
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene with MolForge

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Related Compounds

3-decyl-2-[5-[5-[3-decyl-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;3-dodecyl-2-[5-[5-[3-dodecyl-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;2-[5-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(4-methylphenyl)-3-octylthiophene
CID 90958689
3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 101128225
3-hexyl-2-[5-[5-[4-hexyl-5-[4-hexyl-5-[5-[5-(4-hexyl-5-phenylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-phenylthiophene
CID 59515125
2-[2,5-bis(5-octylthiophen-2-yl)thiophen-3-yl]ethanol
CID 640124
2-[3,5-bis[5-[4-decyl-5-(5-hexylthiophen-2-yl)thiophen-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]-5-[4-decyl-5-(5-hexylthiophen-2-yl)thiophen-2-yl]-1,3,4-thiadiazole
CID 132538998
2-bromo-5-[5-[5-[5-[5-(5-bromo-4-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-3-hexylthiophene
CID 102588392
3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylphenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-phenylthiophene
CID 88975831
3-hexyl-2-[5-[5-[3-hexyl-5-(3-methylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58121713
5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene
CID 58159360
5-[5-[3,5-bis[5-[4,5-bis(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(5-hexylthiophen-2-yl)thiophene
CID 101383474
2-[2-(2-butoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[(E)-2-[4-[5-[5-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene;2-[2-(2-butoxyethoxy)ethyl]-5-[4-[(E)-2-[4-[5-[5-[5-[5-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene;2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-[5-[4-[(E)-2-[4-[5-[5-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophene;bis(2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-[5-[5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophene);2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-(5-methylthiophen-2-yl)thiophene;2-[5-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]thiophen-2-yl]-5-(5-methylthiophen-2-yl)thiophene
CID 160898597
5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene;hydrofluoride
CID 157282675

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene?
The IUPAC name of 2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene (CID 59288539) is 2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene.
What is the SMILES notation for 2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene?
The canonical SMILES for 2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene is CCCCCCc1cc(-c2ccc(C)cc2)sc1-c1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccc(CCOCC)s5)s4)cc3CCCCCC)s2)s1.
What is the InChIKey of 2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene?
The InChIKey is PRNCIDGYYSOMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H52OS6/c1-5-8-10-12-14-34-30-44(33-18-16-32(4)17-19-33)53-46(34)42-26-24-39(51-42)40-25-27-43(52-40)47-35(15-13-11-9-6-2)31-45(54-47)41-23-22-38(50-41)37-21-20-36(49-37)28-29-48-7-3/h16-27,30-31H,5-15,28-29H2,1-4H3.
What are the key properties of 2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene?
2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene has a molecular weight of 825.33 g/mol, XLogP of 17.19, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene is sourced from PubChem (CID 59288539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).