5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde

C60H71BrOS8 — CID 11528219

IUPAC5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde
SMILESCCCCCCc1cc(Br)sc1-c1ccc(-c2ccc(-c3sc(CCCc4cc(CCCCCC)c(-c5ccc(-c6ccc(-c7sc(C=O)cc7CCCCCC)s6)s5)s4)cc3CCCCCC)s2)s1
InChIInChI=1S/C60H71BrOS8/c1-5-9-13-17-22-41-36-45(63-57(41)52-32-28-48(66-52)49-30-34-54(68-49)59-43(24-19-15-11-7-3)38-47(40-62)65-59)26-21-27-46-37-42(23-18-14-10-6-2)58(64-46)53-33-29-50(67-53)51-31-35-55(69-51)60-44(39-56(61)70-60)25-20-16-12-8-4/h28-40H,5-27H2,1-4H3
InChIKeyMHXBAVJTWYPENC-UHFFFAOYSA-N
MW1144.67 g/mol
LogP23.42
Rot. Bonds31

About 5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde

5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde (PubChem CID 11528219) has the molecular formula C60H71BrOS8 and a molecular weight of 1144.67 g/mol. Its IUPAC name is 5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde
PubChem CID11528219
Molecular FormulaC60H71BrOS8
Molecular Weight1144.67 g/mol
Exact Mass1142.25
IUPAC Name5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde
SMILESCCCCCCc1cc(Br)sc1-c1ccc(-c2ccc(-c3sc(CCCc4cc(CCCCCC)c(-c5ccc(-c6ccc(-c7sc(C=O)cc7CCCCCC)s6)s5)s4)cc3CCCCCC)s2)s1
InChIInChI=1S/C60H71BrOS8/c1-5-9-13-17-22-41-36-45(63-57(41)52-32-28-48(66-52)49-30-34-54(68-49)59-43(24-19-15-11-7-3)38-47(40-62)65-59)26-21-27-46-37-42(23-18-14-10-6-2)58(64-46)53-33-29-50(67-53)51-31-35-55(69-51)60-44(39-56(61)70-60)25-20-16-12-8-4/h28-40H,5-27H2,1-4H3
InChIKeyMHXBAVJTWYPENC-UHFFFAOYSA-N
XLogP23.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds31
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001144.67
LogP ≤ 523.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde with MolForge

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Related Compounds

CID 11285664
CID 11285664
5-bromo-2-[5-[5-(5-bromo-3-heptadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-heptadecylthiophene
CID 58084268
4-pentyl-5-[5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde
CID 100938452
S-[5-[5-[5-(5-formyl-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl] ethanethioate
CID 101025709
3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 11513597
5-bromo-2-(5-bromo-3-octylthiophen-2-yl)-3-octylthiophene
CID 86180196
tributyl-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]stannane
CID 11600630
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
4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;2-(3-hexylthiophen-2-yl)-5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophene;methane;molecular hydrogen;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
CID 161348777
3-dodecyl-2-[5-[5-(3-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 23522605
[4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 170898127
2,4,6-tris(5-bromo-3-hexylthiophen-2-yl)-1,3,5-triazine
CID 122229494

Frequently Asked Questions

What is the IUPAC name of 5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde?
The IUPAC name of 5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde (CID 11528219) is 5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde?
The canonical SMILES for 5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde is CCCCCCc1cc(Br)sc1-c1ccc(-c2ccc(-c3sc(CCCc4cc(CCCCCC)c(-c5ccc(-c6ccc(-c7sc(C=O)cc7CCCCCC)s6)s5)s4)cc3CCCCCC)s2)s1.
What is the InChIKey of 5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde?
The InChIKey is MHXBAVJTWYPENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H71BrOS8/c1-5-9-13-17-22-41-36-45(63-57(41)52-32-28-48(66-52)49-30-34-54(68-49)59-43(24-19-15-11-7-3)38-47(40-62)65-59)26-21-27-46-37-42(23-18-14-10-6-2)58(64-46)53-33-29-50(67-53)51-31-35-55(69-51)60-44(39-56(61)70-60)25-20-16-12-8-4/h28-40H,5-27H2,1-4H3.
What are the key properties of 5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde?
5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde has a molecular weight of 1144.67 g/mol, XLogP of 23.42, 31 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[5-[5-[3-[5-[5-[5-(5-bromo-3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]propyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde is sourced from PubChem (CID 11528219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).