3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene

C57H56O9S6 — CID 101001303

IUPAC3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene
SMILESCOCCOCCOc1ccc(-c2ccsc2-c2ccc(-c3cc(-c4ccc(OCCOCCOC)cc4)c(-c4ccc(-c5cc(-c6ccc(OCCOCCOC)cc6)c(-c6cccs6)s5)s4)s3)s2)cc1
InChIInChI=1S/C57H56O9S6/c1-58-23-26-61-29-32-64-42-12-6-39(7-13-42)45-22-36-68-55(45)51-20-18-48(69-51)54-38-47(41-10-16-44(17-11-41)66-34-31-63-28-25-60-3)57(72-54)52-21-19-49(70-52)53-37-46(56(71-53)50-5-4-35-67-50)40-8-14-43(15-9-40)65-33-30-62-27-24-59-2/h4-22,35-38H,23-34H2,1-3H3
InChIKeyZHDCMWHQFGNOAT-UHFFFAOYSA-N
MW1077.47 g/mol
LogP15.52
Rot. Bonds29

About 3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene

3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene (PubChem CID 101001303) has the molecular formula C57H56O9S6 and a molecular weight of 1077.47 g/mol. Its IUPAC name is 3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene.

Molecular Properties

Compound Name3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene
PubChem CID101001303
Molecular FormulaC57H56O9S6
Molecular Weight1077.47 g/mol
Exact Mass1076.22
IUPAC Name3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene
SMILESCOCCOCCOc1ccc(-c2ccsc2-c2ccc(-c3cc(-c4ccc(OCCOCCOC)cc4)c(-c4ccc(-c5cc(-c6ccc(OCCOCCOC)cc6)c(-c6cccs6)s5)s4)s3)s2)cc1
InChIInChI=1S/C57H56O9S6/c1-58-23-26-61-29-32-64-42-12-6-39(7-13-42)45-22-36-68-55(45)51-20-18-48(69-51)54-38-47(41-10-16-44(17-11-41)66-34-31-63-28-25-60-3)57(72-54)52-21-19-49(70-52)53-37-46(56(71-53)50-5-4-35-67-50)40-8-14-43(15-9-40)65-33-30-62-27-24-59-2/h4-22,35-38H,23-34H2,1-3H3
InChIKeyZHDCMWHQFGNOAT-UHFFFAOYSA-N
XLogP15.52
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001077.47
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene with MolForge

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Related Compounds

CID 101079911
CID 101079911
5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]thiophene;5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]thiophene
CID 162100052
4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 102469985
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene
CID 25194683
4,7-bis[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,1,3-benzothiadiazole
CID 166983283
3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene
CID 101048630
3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
CID 172853479
4-[5-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]-7-thiophen-2-yl-2,1,3-benzothiadiazole
CID 118150181
2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 102394967
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene
CID 101018673

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene?
The IUPAC name of 3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene (CID 101001303) is 3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene.
What is the SMILES notation for 3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene?
The canonical SMILES for 3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene is COCCOCCOc1ccc(-c2ccsc2-c2ccc(-c3cc(-c4ccc(OCCOCCOC)cc4)c(-c4ccc(-c5cc(-c6ccc(OCCOCCOC)cc6)c(-c6cccs6)s5)s4)s3)s2)cc1.
What is the InChIKey of 3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene?
The InChIKey is ZHDCMWHQFGNOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H56O9S6/c1-58-23-26-61-29-32-64-42-12-6-39(7-13-42)45-22-36-68-55(45)51-20-18-48(69-51)54-38-47(41-10-16-44(17-11-41)66-34-31-63-28-25-60-3)57(72-54)52-21-19-49(70-52)53-37-46(56(71-53)50-5-4-35-67-50)40-8-14-43(15-9-40)65-33-30-62-27-24-59-2/h4-22,35-38H,23-34H2,1-3H3.
What are the key properties of 3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene?
3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene has a molecular weight of 1077.47 g/mol, XLogP of 15.52, 29 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-[5-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-thiophen-2-ylthiophene is sourced from PubChem (CID 101001303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).