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

C132H174S12 — CID 90958689

IUPAC3-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
SMILESCCCCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(-c4ccc(C)cc4)cc3CCCCCCCCCCCC)s2)s1.CCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(-c4ccc(C)cc4)cc3CCCCCCCCCC)s2)s1.CCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(-c4ccc(C)cc4)cc3CCCCCCCC)s2)s1
InChIInChI=1S/C48H66S4.C44H58S4.C40H50S4/c1-5-7-9-11-13-15-17-19-21-23-25-40-35-38(4)49-47(40)44-33-31-42(50-44)43-32-34-45(51-43)48-41(26-24-22-20-18-16-14-12-10-8-6-2)36-46(52-48)39-29-27-37(3)28-30-39;1-5-7-9-11-13-15-17-19-21-36-31-34(4)45-43(36)40-29-27-38(46-40)39-28-30-41(47-39)44-37(22-20-18-16-14-12-10-8-6-2)32-42(48-44)35-25-23-33(3)24-26-35;1-5-7-9-11-13-15-17-32-27-30(4)41-39(32)36-25-23-34(42-36)35-24-26-37(43-35)40-33(18-16-14-12-10-8-6-2)28-38(44-40)31-21-19-29(3)20-22-31/h27-36H,5-26H2,1-4H3;23-32H,5-22H2,1-4H3;19-28H,5-18H2,1-4H3
InChIKeyLCHISFKIYZIKIS-UHFFFAOYSA-N
MW2145.65 g/mol
LogP49.75
Rot. Bonds66

About 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

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 (PubChem CID 90958689) has the molecular formula C132H174S12 and a molecular weight of 2145.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID90958689
Molecular FormulaC132H174S12
Molecular Weight2145.65 g/mol
Exact Mass2143.03
IUPAC Name3-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
SMILESCCCCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(-c4ccc(C)cc4)cc3CCCCCCCCCCCC)s2)s1.CCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(-c4ccc(C)cc4)cc3CCCCCCCCCC)s2)s1.CCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(-c4ccc(C)cc4)cc3CCCCCCCC)s2)s1
InChIInChI=1S/C48H66S4.C44H58S4.C40H50S4/c1-5-7-9-11-13-15-17-19-21-23-25-40-35-38(4)49-47(40)44-33-31-42(50-44)43-32-34-45(51-43)48-41(26-24-22-20-18-16-14-12-10-8-6-2)36-46(52-48)39-29-27-37(3)28-30-39;1-5-7-9-11-13-15-17-19-21-36-31-34(4)45-43(36)40-29-27-38(46-40)39-28-30-41(47-39)44-37(22-20-18-16-14-12-10-8-6-2)32-42(48-44)35-25-23-33(3)24-26-35;1-5-7-9-11-13-15-17-32-27-30(4)41-39(32)36-25-23-34(42-36)35-24-26-37(43-35)40-33(18-16-14-12-10-8-6-2)28-38(44-40)31-21-19-29(3)20-22-31/h27-36H,5-26H2,1-4H3;23-32H,5-22H2,1-4H3;19-28H,5-18H2,1-4H3
InChIKeyLCHISFKIYZIKIS-UHFFFAOYSA-N
XLogP49.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds66
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002145.65
LogP ≤ 549.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-[5-[5-[3-hexyl-5-(3-methylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58121713
3-dodecyl-2-[5-[5-(3-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 23522605
3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylphenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-phenylthiophene
CID 88975831
2-[5-[5-[5-[5-[5-(2-ethoxyethyl)thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexyl-5-(4-methylphenyl)thiophene
CID 59288539
3-hexyl-2-[5-[5-[4-hexyl-5-[4-hexyl-5-[5-[5-(4-hexyl-5-phenylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-phenylthiophene
CID 59515125
4-[5-[5-[5-[5-(8-methyldibenzothiophen-2-yl)-3-octylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-7-[5-[5-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-2,1,3-benzothiadiazole
CID 58121563
2-bromo-5-[5-[5-[5-[5-(5-bromo-4-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-3-hexylthiophene
CID 102588392
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
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(-c4ccc(C)cc4)cc3CCCCCCCCCCCC)s2)s1.CCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(-c4ccc(C)cc4)cc3CCCCCCCCCC)s2)s1.CCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(-c4ccc(C)cc4)cc3CCCCCCCC)s2)s1.
What is the InChIKey of 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?
The InChIKey is LCHISFKIYZIKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H66S4.C44H58S4.C40H50S4/c1-5-7-9-11-13-15-17-19-21-23-25-40-35-38(4)49-47(40)44-33-31-42(50-44)43-32-34-45(51-43)48-41(26-24-22-20-18-16-14-12-10-8-6-2)36-46(52-48)39-29-27-37(3)28-30-39;1-5-7-9-11-13-15-17-19-21-36-31-34(4)45-43(36)40-29-27-38(46-40)39-28-30-41(47-39)44-37(22-20-18-16-14-12-10-8-6-2)32-42(48-44)35-25-23-33(3)24-26-35;1-5-7-9-11-13-15-17-32-27-30(4)41-39(32)36-25-23-34(42-36)35-24-26-37(43-35)40-33(18-16-14-12-10-8-6-2)28-38(44-40)31-21-19-29(3)20-22-31/h27-36H,5-26H2,1-4H3;23-32H,5-22H2,1-4H3;19-28H,5-18H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2145.65 g/mol, XLogP of 49.75, 66 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90958689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).