3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene

C68H52S9 — CID 101222601

IUPAC3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene
SMILESCCc1ccc(C#Cc2sc(C#Cc3sc(C#Cc4sc(C#Cc5sc(C#Cc6sc(C#Cc7sc(C#Cc8sc(C#Cc9cccs9)cc8CC)cc7CC)cc6CC)cc5CC)cc4CC)cc3CC)cc2CC)s1
InChIInChI=1S/C68H52S9/c1-9-45-38-55(22-20-53-18-17-37-69-53)71-63(45)31-24-57-40-47(11-3)65(73-57)33-26-59-42-49(13-5)67(75-59)35-28-61-44-51(15-7)68(77-61)36-29-60-43-50(14-6)66(76-60)34-27-58-41-48(12-4)64(74-58)32-25-56-39-46(10-2)62(72-56)30-23-54-21-19-52(16-8)70-54/h17-19,21,37-44H,9-16H2,1-8H3
InChIKeyLUQQDXDSYKZYCE-UHFFFAOYSA-N
MW1157.77 g/mol
LogP17.94
Rot. Bonds8

About 3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene

3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene (PubChem CID 101222601) has the molecular formula C68H52S9 and a molecular weight of 1157.77 g/mol. Its IUPAC name is 3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene.

Molecular Properties

Compound Name3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene
PubChem CID101222601
Molecular FormulaC68H52S9
Molecular Weight1157.77 g/mol
Exact Mass1156.16
IUPAC Name3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene
SMILESCCc1ccc(C#Cc2sc(C#Cc3sc(C#Cc4sc(C#Cc5sc(C#Cc6sc(C#Cc7sc(C#Cc8sc(C#Cc9cccs9)cc8CC)cc7CC)cc6CC)cc5CC)cc4CC)cc3CC)cc2CC)s1
InChIInChI=1S/C68H52S9/c1-9-45-38-55(22-20-53-18-17-37-69-53)71-63(45)31-24-57-40-47(11-3)65(73-57)33-26-59-42-49(13-5)67(75-59)35-28-61-44-51(15-7)68(77-61)36-29-60-43-50(14-6)66(76-60)34-27-58-41-48(12-4)64(74-58)32-25-56-39-46(10-2)62(72-56)30-23-54-21-19-52(16-8)70-54/h17-19,21,37-44H,9-16H2,1-8H3
InChIKeyLUQQDXDSYKZYCE-UHFFFAOYSA-N
XLogP17.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001157.77
LogP ≤ 517.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene?
The IUPAC name of 3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene (CID 101222601) is 3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene.
What is the SMILES notation for 3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene?
The canonical SMILES for 3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene is CCc1ccc(C#Cc2sc(C#Cc3sc(C#Cc4sc(C#Cc5sc(C#Cc6sc(C#Cc7sc(C#Cc8sc(C#Cc9cccs9)cc8CC)cc7CC)cc6CC)cc5CC)cc4CC)cc3CC)cc2CC)s1.
What is the InChIKey of 3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene?
The InChIKey is LUQQDXDSYKZYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52S9/c1-9-45-38-55(22-20-53-18-17-37-69-53)71-63(45)31-24-57-40-47(11-3)65(73-57)33-26-59-42-49(13-5)67(75-59)35-28-61-44-51(15-7)68(77-61)36-29-60-43-50(14-6)66(76-60)34-27-58-41-48(12-4)64(74-58)32-25-56-39-46(10-2)62(72-56)30-23-54-21-19-52(16-8)70-54/h17-19,21,37-44H,9-16H2,1-8H3.
What are the key properties of 3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene?
3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene has a molecular weight of 1157.77 g/mol, XLogP of 17.94, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene is sourced from PubChem (CID 101222601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).