2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene

C120H144O4S8 — CID 91083523

IUPAC2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene
SMILESC#CC#CC#CC#CC#COc1cc(-c2ccc(-c3sc(C)cc3CCCCCCCCCC)s2)c(OCCCCCCCCCC)cc1-c1ccc(-c2sc(C)cc2CCCCCCCCCC)s1.C#CC#CC#CC#COc1cc(-c2ccc(-c3sc(C)cc3CCCCCCCC)s2)c(OCCCCCCCC)cc1-c1ccc(-c2sc(C)cc2CCCCCCCC)s1
InChIInChI=1S/C64H78O2S4.C56H66O2S4/c1-7-11-15-19-23-27-31-35-39-53-47-51(5)67-63(53)61-43-41-59(69-61)55-49-58(66-46-38-34-30-26-22-18-14-10-4)56(50-57(55)65-45-37-33-29-25-21-17-13-9-3)60-42-44-62(70-60)64-54(48-52(6)68-64)40-36-32-28-24-20-16-12-8-2;1-7-11-15-19-23-27-31-45-39-43(5)59-55(45)53-35-33-51(61-53)47-41-50(58-38-30-26-22-18-14-10-4)48(42-49(47)57-37-29-25-21-17-13-9-3)52-34-36-54(62-52)56-46(40-44(6)60-56)32-28-24-20-16-12-8-2/h3,41-44,47-50H,7-8,10-12,14-16,18-20,22-24,26-28,30-32,34-36,38-40,46H2,1-2,4-6H3;3,33-36,39-42H,7-8,10-12,14-16,18-20,22-24,26-28,30-32,38H2,1-2,4-6H3
InChIKeyWZZHOYIWGLJFIB-UHFFFAOYSA-N
MW1907.00 g/mol
LogP37.83
Rot. Bonds60

About 2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene

2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene (PubChem CID 91083523) has the molecular formula C120H144O4S8 and a molecular weight of 1907.00 g/mol. Its IUPAC name is 2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene.

Molecular Properties

Compound Name2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene
PubChem CID91083523
Molecular FormulaC120H144O4S8
Molecular Weight1907.00 g/mol
Exact Mass1904.88
IUPAC Name2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene
SMILESC#CC#CC#CC#CC#COc1cc(-c2ccc(-c3sc(C)cc3CCCCCCCCCC)s2)c(OCCCCCCCCCC)cc1-c1ccc(-c2sc(C)cc2CCCCCCCCCC)s1.C#CC#CC#CC#COc1cc(-c2ccc(-c3sc(C)cc3CCCCCCCC)s2)c(OCCCCCCCC)cc1-c1ccc(-c2sc(C)cc2CCCCCCCC)s1
InChIInChI=1S/C64H78O2S4.C56H66O2S4/c1-7-11-15-19-23-27-31-35-39-53-47-51(5)67-63(53)61-43-41-59(69-61)55-49-58(66-46-38-34-30-26-22-18-14-10-4)56(50-57(55)65-45-37-33-29-25-21-17-13-9-3)60-42-44-62(70-60)64-54(48-52(6)68-64)40-36-32-28-24-20-16-12-8-2;1-7-11-15-19-23-27-31-45-39-43(5)59-55(45)53-35-33-51(61-53)47-41-50(58-38-30-26-22-18-14-10-4)48(42-49(47)57-37-29-25-21-17-13-9-3)52-34-36-54(62-52)56-46(40-44(6)60-56)32-28-24-20-16-12-8-2/h3,41-44,47-50H,7-8,10-12,14-16,18-20,22-24,26-28,30-32,34-36,38-40,46H2,1-2,4-6H3;3,33-36,39-42H,7-8,10-12,14-16,18-20,22-24,26-28,30-32,38H2,1-2,4-6H3
InChIKeyWZZHOYIWGLJFIB-UHFFFAOYSA-N
XLogP37.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds60
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001907.00
LogP ≤ 537.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene 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-[5-[2-hexa-1,3,5-triynoxy-5-hexoxy-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-hexyl-5-methylthiophene
CID 23576559
2,5-bis(5-methylthiophen-2-yl)-3,4-dioctylthiophene;3-decyl-2-[5-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;3,4-didodecyl-2,5-bis(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-3-octylthiophene;3-dodecyl-2-[4-dodecyl-5-[5-[5-(3-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;3-dodecyl-2-[5-[5-(3-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;3-hexyl-2,5-dimethylthiophene;3-hexyl-2-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-5-methylthiophene;2-methyl-5-[4-(5-methylthiophen-2-yl)-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophene;molecular hydrogen
CID 159171597
2-[2-hexa-1,3,5-triynoxy-5-hexoxy-4-(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;2-methyl-5-[4-(5-methylthiophen-2-yl)-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophene
CID 90974840
2-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;2-methyl-5-[4-(5-methylthiophen-2-yl)-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophene
CID 90873107
2-[5-[5-(3-dodeca-1,3,5,7,9,11-hexaynyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-dodecyl-5-methylthiophene
CID 20789363
3-dodecyl-2-[5-[5-(3-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 23522605
2-[2,5-bis(dodeca-1,3,5,7,9,11-hexaynoxy)-4-(5-methylthiophen-2-yl)phenyl]-5-methylthiophene
CID 23576554
2-[2,5-bis(dodeca-1,3,5,7,9,11-hexaynyl)-4-(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;2-[2,5-didecyl-4-(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;2-[2,5-dihexyl-4-(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;2-[5-[4-[5-(3,5-dimethylthiophen-2-yl)thiophen-2-yl]-2,5-dioctylphenyl]thiophen-2-yl]-3,5-dimethylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2,5-dioctylphenyl]thiophen-2-yl]-3-octylthiophene;2-methyl-5-[4-(5-methylthiophen-2-yl)-2,5-dioctylphenyl]thiophene;molecular hydrogen
CID 157290347
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-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
2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene
CID 23398510
2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 159203469

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene?
The IUPAC name of 2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene (CID 91083523) is 2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene.
What is the SMILES notation for 2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene?
The canonical SMILES for 2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene is C#CC#CC#CC#CC#COc1cc(-c2ccc(-c3sc(C)cc3CCCCCCCCCC)s2)c(OCCCCCCCCCC)cc1-c1ccc(-c2sc(C)cc2CCCCCCCCCC)s1.C#CC#CC#CC#COc1cc(-c2ccc(-c3sc(C)cc3CCCCCCCC)s2)c(OCCCCCCCC)cc1-c1ccc(-c2sc(C)cc2CCCCCCCC)s1.
What is the InChIKey of 2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene?
The InChIKey is WZZHOYIWGLJFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H78O2S4.C56H66O2S4/c1-7-11-15-19-23-27-31-35-39-53-47-51(5)67-63(53)61-43-41-59(69-61)55-49-58(66-46-38-34-30-26-22-18-14-10-4)56(50-57(55)65-45-37-33-29-25-21-17-13-9-3)60-42-44-62(70-60)64-54(48-52(6)68-64)40-36-32-28-24-20-16-12-8-2;1-7-11-15-19-23-27-31-45-39-43(5)59-55(45)53-35-33-51(61-53)47-41-50(58-38-30-26-22-18-14-10-4)48(42-49(47)57-37-29-25-21-17-13-9-3)52-34-36-54(62-52)56-46(40-44(6)60-56)32-28-24-20-16-12-8-2/h3,41-44,47-50H,7-8,10-12,14-16,18-20,22-24,26-28,30-32,34-36,38-40,46H2,1-2,4-6H3;3,33-36,39-42H,7-8,10-12,14-16,18-20,22-24,26-28,30-32,38H2,1-2,4-6H3.
What are the key properties of 2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene?
2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene has a molecular weight of 1907.00 g/mol, XLogP of 37.83, 60 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene is sourced from PubChem (CID 91083523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).