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

C290H434O2S26 — CID 159171597

IUPAC2,5-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
SMILESC#CC#CC#CC#COc1cc(-c2ccc(C)s2)c(OCCCCCCCC)cc1-c1ccc(C)s1.CCCCCCCCCCCCc1c(-c2ccc(C)s2)sc(-c2ccc(C)s2)c1CCCCCCCCCCCC.CCCCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(-c4sc(C)cc4CCCCCCCCCCCC)cc3CCCCCCCCCCCC)s2)s1.CCCCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(C)cc3CCCCCCCCCCCC)s2)s1.CCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(C)cc3CCCCCCCCCC)s2)s1.CCCCCCCCc1c(-c2ccc(C)s2)sc(-c2ccc(C)s2)c1CCCCCCCC.CCCCCCCCc1cc(C)sc1C.CCCCCCc1cc(C)sc1-c1ccc(-c2sc(C)cc2CCCCCC)s1.CCCCCCc1cc(C)sc1C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C58H88S5.C42H62S4.C38H54S4.C38H60S3.C32H30O2S2.C30H44S3.C26H36S3.C14H24S.C12H20S.8H2/c1-6-9-12-15-18-21-24-27-30-33-36-48-43-46(4)59-56(48)53-41-39-51(61-53)52-40-42-54(62-52)57-50(38-35-32-29-26-23-20-17-14-11-8-3)45-55(63-57)58-49(44-47(5)60-58)37-34-31-28-25-22-19-16-13-10-7-2;1-5-7-9-11-13-15-17-19-21-23-25-35-31-33(3)43-41(35)39-29-27-37(45-39)38-28-30-40(46-38)42-36(32-34(4)44-42)26-24-22-20-18-16-14-12-10-8-6-2;1-5-7-9-11-13-15-17-19-21-31-27-29(3)39-37(31)35-25-23-33(41-35)34-24-26-36(42-34)38-32(28-30(4)40-38)22-20-18-16-14-12-10-8-6-2;1-5-7-9-11-13-15-17-19-21-23-25-33-34(26-24-22-20-18-16-14-12-10-8-6-2)38(36-30-28-32(4)40-36)41-37(33)35-29-27-31(3)39-35;1-5-7-9-11-13-15-21-33-29-23-28(32-20-18-26(4)36-32)30(34-22-16-14-12-10-8-6-2)24-27(29)31-19-17-25(3)35-31;1-5-7-9-11-13-15-17-25-26(18-16-14-12-10-8-6-2)30(28-22-20-24(4)32-28)33-29(25)27-21-19-23(3)31-27;1-5-7-9-11-13-21-17-19(3)27-25(21)23-15-16-24(29-23)26-22(18-20(4)28-26)14-12-10-8-6-2;1-4-5-6-7-8-9-10-14-11-12(2)15-13(14)3;1-4-5-6-7-8-12-9-10(2)13-11(12)3;;;;;;;;/h39-45H,6-38H2,1-5H3;27-32H,5-26H2,1-4H3;23-28H,5-22H2,1-4H3;27-30H,5-26H2,1-4H3;1,17-20,23-24H,6,8,10,12,14,16,22H2,2-4H3;19-22H,5-18H2,1-4H3;15-18H,5-14H2,1-4H3;11H,4-10H2,1-3H3;9H,4-8H2,1-3H3;8*1H
InChIKeyKLTHQXROLKVLAY-UHFFFAOYSA-N
MW4786.40 g/mol
LogP110.71
Rot. Bonds158

About 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

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 (PubChem CID 159171597) has the molecular formula C290H434O2S26 and a molecular weight of 4786.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID159171597
Molecular FormulaC290H434O2S26
Molecular Weight4786.40 g/mol
Exact Mass4780.66
IUPAC Name2,5-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
SMILESC#CC#CC#CC#COc1cc(-c2ccc(C)s2)c(OCCCCCCCC)cc1-c1ccc(C)s1.CCCCCCCCCCCCc1c(-c2ccc(C)s2)sc(-c2ccc(C)s2)c1CCCCCCCCCCCC.CCCCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(-c4sc(C)cc4CCCCCCCCCCCC)cc3CCCCCCCCCCCC)s2)s1.CCCCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(C)cc3CCCCCCCCCCCC)s2)s1.CCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(C)cc3CCCCCCCCCC)s2)s1.CCCCCCCCc1c(-c2ccc(C)s2)sc(-c2ccc(C)s2)c1CCCCCCCC.CCCCCCCCc1cc(C)sc1C.CCCCCCc1cc(C)sc1-c1ccc(-c2sc(C)cc2CCCCCC)s1.CCCCCCc1cc(C)sc1C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C58H88S5.C42H62S4.C38H54S4.C38H60S3.C32H30O2S2.C30H44S3.C26H36S3.C14H24S.C12H20S.8H2/c1-6-9-12-15-18-21-24-27-30-33-36-48-43-46(4)59-56(48)53-41-39-51(61-53)52-40-42-54(62-52)57-50(38-35-32-29-26-23-20-17-14-11-8-3)45-55(63-57)58-49(44-47(5)60-58)37-34-31-28-25-22-19-16-13-10-7-2;1-5-7-9-11-13-15-17-19-21-23-25-35-31-33(3)43-41(35)39-29-27-37(45-39)38-28-30-40(46-38)42-36(32-34(4)44-42)26-24-22-20-18-16-14-12-10-8-6-2;1-5-7-9-11-13-15-17-19-21-31-27-29(3)39-37(31)35-25-23-33(41-35)34-24-26-36(42-34)38-32(28-30(4)40-38)22-20-18-16-14-12-10-8-6-2;1-5-7-9-11-13-15-17-19-21-23-25-33-34(26-24-22-20-18-16-14-12-10-8-6-2)38(36-30-28-32(4)40-36)41-37(33)35-29-27-31(3)39-35;1-5-7-9-11-13-15-21-33-29-23-28(32-20-18-26(4)36-32)30(34-22-16-14-12-10-8-6-2)24-27(29)31-19-17-25(3)35-31;1-5-7-9-11-13-15-17-25-26(18-16-14-12-10-8-6-2)30(28-22-20-24(4)32-28)33-29(25)27-21-19-23(3)31-27;1-5-7-9-11-13-21-17-19(3)27-25(21)23-15-16-24(29-23)26-22(18-20(4)28-26)14-12-10-8-6-2;1-4-5-6-7-8-9-10-14-11-12(2)15-13(14)3;1-4-5-6-7-8-12-9-10(2)13-11(12)3;;;;;;;;/h39-45H,6-38H2,1-5H3;27-32H,5-26H2,1-4H3;23-28H,5-22H2,1-4H3;27-30H,5-26H2,1-4H3;1,17-20,23-24H,6,8,10,12,14,16,22H2,2-4H3;19-22H,5-18H2,1-4H3;15-18H,5-14H2,1-4H3;11H,4-10H2,1-3H3;9H,4-8H2,1-3H3;8*1H
InChIKeyKLTHQXROLKVLAY-UHFFFAOYSA-N
XLogP110.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds158
Heavy Atoms318
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004786.40
LogP ≤ 5110.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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-[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
2-[2,5-bis(dodeca-1,3,5,7,9,11-hexaynoxy)-4-(5-methylthiophen-2-yl)phenyl]-5-methylthiophene
CID 23576554
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-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-[4-hexyl-5-[4-hexyl-5-(4-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58239839
3-dodecyl-2-[5-[5-(3-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 23522605
4-methyl-11-[5-[5-[5-(5-methyl-3-tridecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-tridecylthiophen-2-yl]-5,12-di(tridecyl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 58084273
5,12-di(heptadecyl)-4-[4-heptadecyl-5-[5-[5-(3-heptadecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-11-methyl-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 58084266

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C#CC#CC#CC#COc1cc(-c2ccc(C)s2)c(OCCCCCCCC)cc1-c1ccc(C)s1.CCCCCCCCCCCCc1c(-c2ccc(C)s2)sc(-c2ccc(C)s2)c1CCCCCCCCCCCC.CCCCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(-c4sc(C)cc4CCCCCCCCCCCC)cc3CCCCCCCCCCCC)s2)s1.CCCCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(C)cc3CCCCCCCCCCCC)s2)s1.CCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(C)cc3CCCCCCCCCC)s2)s1.CCCCCCCCc1c(-c2ccc(C)s2)sc(-c2ccc(C)s2)c1CCCCCCCC.CCCCCCCCc1cc(C)sc1C.CCCCCCc1cc(C)sc1-c1ccc(-c2sc(C)cc2CCCCCC)s1.CCCCCCc1cc(C)sc1C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is KLTHQXROLKVLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H88S5.C42H62S4.C38H54S4.C38H60S3.C32H30O2S2.C30H44S3.C26H36S3.C14H24S.C12H20S.8H2/c1-6-9-12-15-18-21-24-27-30-33-36-48-43-46(4)59-56(48)53-41-39-51(61-53)52-40-42-54(62-52)57-50(38-35-32-29-26-23-20-17-14-11-8-3)45-55(63-57)58-49(44-47(5)60-58)37-34-31-28-25-22-19-16-13-10-7-2;1-5-7-9-11-13-15-17-19-21-23-25-35-31-33(3)43-41(35)39-29-27-37(45-39)38-28-30-40(46-38)42-36(32-34(4)44-42)26-24-22-20-18-16-14-12-10-8-6-2;1-5-7-9-11-13-15-17-19-21-31-27-29(3)39-37(31)35-25-23-33(41-35)34-24-26-36(42-34)38-32(28-30(4)40-38)22-20-18-16-14-12-10-8-6-2;1-5-7-9-11-13-15-17-19-21-23-25-33-34(26-24-22-20-18-16-14-12-10-8-6-2)38(36-30-28-32(4)40-36)41-37(33)35-29-27-31(3)39-35;1-5-7-9-11-13-15-21-33-29-23-28(32-20-18-26(4)36-32)30(34-22-16-14-12-10-8-6-2)24-27(29)31-19-17-25(3)35-31;1-5-7-9-11-13-15-17-25-26(18-16-14-12-10-8-6-2)30(28-22-20-24(4)32-28)33-29(25)27-21-19-23(3)31-27;1-5-7-9-11-13-21-17-19(3)27-25(21)23-15-16-24(29-23)26-22(18-20(4)28-26)14-12-10-8-6-2;1-4-5-6-7-8-9-10-14-11-12(2)15-13(14)3;1-4-5-6-7-8-12-9-10(2)13-11(12)3;;;;;;;;/h39-45H,6-38H2,1-5H3;27-32H,5-26H2,1-4H3;23-28H,5-22H2,1-4H3;27-30H,5-26H2,1-4H3;1,17-20,23-24H,6,8,10,12,14,16,22H2,2-4H3;19-22H,5-18H2,1-4H3;15-18H,5-14H2,1-4H3;11H,4-10H2,1-3H3;9H,4-8H2,1-3H3;8*1H.
What are the key properties of 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?
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 has a molecular weight of 4786.40 g/mol, XLogP of 110.71, 158 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159171597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).