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

C234H332S16 — CID 157290347

IUPAC2-[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
SMILESC#CC#CC#CC#CC#CC#Cc1cc(-c2ccc(C)s2)c(C#CC#CC#CC#CC#CC#C)cc1-c1ccc(C)s1.CCCCCCCCCCc1cc(-c2ccc(C)s2)c(CCCCCCCCCC)cc1-c1ccc(C)s1.CCCCCCCCc1cc(-c2ccc(-c3sc(C)cc3C)s2)c(CCCCCCCC)cc1-c1ccc(-c2sc(C)cc2C)s1.CCCCCCCCc1cc(-c2ccc(-c3sc(C)cc3CCCCCCCC)s2)c(CCCCCCCC)cc1-c1ccc(-c2sc(C)cc2CCCCCCCC)s1.CCCCCCCCc1cc(-c2ccc(C)s2)c(CCCCCCCC)cc1-c1ccc(C)s1.CCCCCCc1cc(-c2ccc(C)s2)c(CCCCCC)cc1-c1ccc(C)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C56H82S4.C42H54S4.C40H14S2.C36H54S2.C32H46S2.C28H38S2.22H2/c1-7-11-15-19-23-27-31-45-41-50(52-36-38-54(60-52)56-48(40-44(6)58-56)34-30-26-22-18-14-10-4)46(32-28-24-20-16-12-8-2)42-49(45)51-35-37-53(59-51)55-47(39-43(5)57-55)33-29-25-21-17-13-9-3;1-7-9-11-13-15-17-19-33-27-36(38-22-24-40(46-38)42-30(4)26-32(6)44-42)34(20-18-16-14-12-10-8-2)28-35(33)37-21-23-39(45-37)41-29(3)25-31(5)43-41;1-5-7-9-11-13-15-17-19-21-23-25-35-31-38(40-30-28-34(4)42-40)36(32-37(35)39-29-27-33(3)41-39)26-24-22-20-18-16-14-12-10-8-6-2;1-5-7-9-11-13-15-17-19-21-31-27-34(36-26-24-30(4)38-36)32(22-20-18-16-14-12-10-8-6-2)28-33(31)35-25-23-29(3)37-35;1-5-7-9-11-13-15-17-27-23-30(32-22-20-26(4)34-32)28(18-16-14-12-10-8-6-2)24-29(27)31-21-19-25(3)33-31;1-5-7-9-11-13-23-19-26(28-18-16-22(4)30-28)24(14-12-10-8-6-2)20-25(23)27-17-15-21(3)29-27;;;;;;;;;;;;;;;;;;;;;;/h35-42H,7-34H2,1-6H3;21-28H,7-20H2,1-6H3;1-2,27-32H,3-4H3;23-28H,5-22H2,1-4H3;19-24H,5-18H2,1-4H3;15-20H,5-14H2,1-4H3;22*1H
InChIKeyBASNELLNLPZIMT-UHFFFAOYSA-N
MW3658.30 g/mol
LogP82.34
Rot. Bonds100

About 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

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 (PubChem CID 157290347) has the molecular formula C234H332S16 and a molecular weight of 3658.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID157290347
Molecular FormulaC234H332S16
Molecular Weight3658.30 g/mol
Exact Mass3654.15
IUPAC Name2-[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
SMILESC#CC#CC#CC#CC#CC#Cc1cc(-c2ccc(C)s2)c(C#CC#CC#CC#CC#CC#C)cc1-c1ccc(C)s1.CCCCCCCCCCc1cc(-c2ccc(C)s2)c(CCCCCCCCCC)cc1-c1ccc(C)s1.CCCCCCCCc1cc(-c2ccc(-c3sc(C)cc3C)s2)c(CCCCCCCC)cc1-c1ccc(-c2sc(C)cc2C)s1.CCCCCCCCc1cc(-c2ccc(-c3sc(C)cc3CCCCCCCC)s2)c(CCCCCCCC)cc1-c1ccc(-c2sc(C)cc2CCCCCCCC)s1.CCCCCCCCc1cc(-c2ccc(C)s2)c(CCCCCCCC)cc1-c1ccc(C)s1.CCCCCCc1cc(-c2ccc(C)s2)c(CCCCCC)cc1-c1ccc(C)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C56H82S4.C42H54S4.C40H14S2.C36H54S2.C32H46S2.C28H38S2.22H2/c1-7-11-15-19-23-27-31-45-41-50(52-36-38-54(60-52)56-48(40-44(6)58-56)34-30-26-22-18-14-10-4)46(32-28-24-20-16-12-8-2)42-49(45)51-35-37-53(59-51)55-47(39-43(5)57-55)33-29-25-21-17-13-9-3;1-7-9-11-13-15-17-19-33-27-36(38-22-24-40(46-38)42-30(4)26-32(6)44-42)34(20-18-16-14-12-10-8-2)28-35(33)37-21-23-39(45-37)41-29(3)25-31(5)43-41;1-5-7-9-11-13-15-17-19-21-23-25-35-31-38(40-30-28-34(4)42-40)36(32-37(35)39-29-27-33(3)41-39)26-24-22-20-18-16-14-12-10-8-6-2;1-5-7-9-11-13-15-17-19-21-31-27-34(36-26-24-30(4)38-36)32(22-20-18-16-14-12-10-8-6-2)28-33(31)35-25-23-29(3)37-35;1-5-7-9-11-13-15-17-27-23-30(32-22-20-26(4)34-32)28(18-16-14-12-10-8-6-2)24-29(27)31-21-19-25(3)33-31;1-5-7-9-11-13-23-19-26(28-18-16-22(4)30-28)24(14-12-10-8-6-2)20-25(23)27-17-15-21(3)29-27;;;;;;;;;;;;;;;;;;;;;;/h35-42H,7-34H2,1-6H3;21-28H,7-20H2,1-6H3;1-2,27-32H,3-4H3;23-28H,5-22H2,1-4H3;19-24H,5-18H2,1-4H3;15-20H,5-14H2,1-4H3;22*1H
InChIKeyBASNELLNLPZIMT-UHFFFAOYSA-N
XLogP82.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds100
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003658.30
LogP ≤ 582.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

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
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
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
3-dodecyl-2-[5-[5-(3-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 23522605
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
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
2,5-bis[5-(5-methylthiophen-2-yl)-4-tetradecylthiophen-2-yl]thieno[3,2-b]thiophene
CID 59638614
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
[4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 170898127
5-bromo-2-[5-[5-(5-bromo-3-heptadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-heptadecylthiophene
CID 58084268

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C#CC#CC#CC#CC#CC#Cc1cc(-c2ccc(C)s2)c(C#CC#CC#CC#CC#CC#C)cc1-c1ccc(C)s1.CCCCCCCCCCc1cc(-c2ccc(C)s2)c(CCCCCCCCCC)cc1-c1ccc(C)s1.CCCCCCCCc1cc(-c2ccc(-c3sc(C)cc3C)s2)c(CCCCCCCC)cc1-c1ccc(-c2sc(C)cc2C)s1.CCCCCCCCc1cc(-c2ccc(-c3sc(C)cc3CCCCCCCC)s2)c(CCCCCCCC)cc1-c1ccc(-c2sc(C)cc2CCCCCCCC)s1.CCCCCCCCc1cc(-c2ccc(C)s2)c(CCCCCCCC)cc1-c1ccc(C)s1.CCCCCCc1cc(-c2ccc(C)s2)c(CCCCCC)cc1-c1ccc(C)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is BASNELLNLPZIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H82S4.C42H54S4.C40H14S2.C36H54S2.C32H46S2.C28H38S2.22H2/c1-7-11-15-19-23-27-31-45-41-50(52-36-38-54(60-52)56-48(40-44(6)58-56)34-30-26-22-18-14-10-4)46(32-28-24-20-16-12-8-2)42-49(45)51-35-37-53(59-51)55-47(39-43(5)57-55)33-29-25-21-17-13-9-3;1-7-9-11-13-15-17-19-33-27-36(38-22-24-40(46-38)42-30(4)26-32(6)44-42)34(20-18-16-14-12-10-8-2)28-35(33)37-21-23-39(45-37)41-29(3)25-31(5)43-41;1-5-7-9-11-13-15-17-19-21-23-25-35-31-38(40-30-28-34(4)42-40)36(32-37(35)39-29-27-33(3)41-39)26-24-22-20-18-16-14-12-10-8-6-2;1-5-7-9-11-13-15-17-19-21-31-27-34(36-26-24-30(4)38-36)32(22-20-18-16-14-12-10-8-6-2)28-33(31)35-25-23-29(3)37-35;1-5-7-9-11-13-15-17-27-23-30(32-22-20-26(4)34-32)28(18-16-14-12-10-8-6-2)24-29(27)31-21-19-25(3)33-31;1-5-7-9-11-13-23-19-26(28-18-16-22(4)30-28)24(14-12-10-8-6-2)20-25(23)27-17-15-21(3)29-27;;;;;;;;;;;;;;;;;;;;;;/h35-42H,7-34H2,1-6H3;21-28H,7-20H2,1-6H3;1-2,27-32H,3-4H3;23-28H,5-22H2,1-4H3;19-24H,5-18H2,1-4H3;15-20H,5-14H2,1-4H3;22*1H.
What are the key properties of 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?
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 has a molecular weight of 3658.30 g/mol, XLogP of 82.34, 100 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157290347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).