2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane

C56H74O4S6 — CID 24744764

IUPAC2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane
SMILESCCCCCCCCCCCCc1ccc(-c2ccc(-c3ccc(C4(CCC5(c6ccc(-c7ccc(-c8ccc(CCCCCCCCCCCC)s8)s7)s6)OCCO5)OCCO4)s3)s2)s1
InChIInChI=1S/C56H74O4S6/c1-3-5-7-9-11-13-15-17-19-21-23-43-25-27-45(61-43)47-29-31-49(63-47)51-33-35-53(65-51)55(57-39-40-58-55)37-38-56(59-41-42-60-56)54-36-34-52(66-54)50-32-30-48(64-50)46-28-26-44(62-46)24-22-20-18-16-14-12-10-8-6-4-2/h25-36H,3-24,37-42H2,1-2H3
InChIKeyNDTTYHHKJBBURT-UHFFFAOYSA-N
MW1003.61 g/mol
LogP19.53
Rot. Bonds31

About 2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane

2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane (PubChem CID 24744764) has the molecular formula C56H74O4S6 and a molecular weight of 1003.61 g/mol. Its IUPAC name is 2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane
PubChem CID24744764
Molecular FormulaC56H74O4S6
Molecular Weight1003.61 g/mol
Exact Mass1002.39
IUPAC Name2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane
SMILESCCCCCCCCCCCCc1ccc(-c2ccc(-c3ccc(C4(CCC5(c6ccc(-c7ccc(-c8ccc(CCCCCCCCCCCC)s8)s7)s6)OCCO5)OCCO4)s3)s2)s1
InChIInChI=1S/C56H74O4S6/c1-3-5-7-9-11-13-15-17-19-21-23-43-25-27-45(61-43)47-29-31-49(63-47)51-33-35-53(65-51)55(57-39-40-58-55)37-38-56(59-41-42-60-56)54-36-34-52(66-54)50-32-30-48(64-50)46-28-26-44(62-46)24-22-20-18-16-14-12-10-8-6-4-2/h25-36H,3-24,37-42H2,1-2H3
InChIKeyNDTTYHHKJBBURT-UHFFFAOYSA-N
XLogP19.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds31
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.61
LogP ≤ 519.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane with MolForge

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Related Compounds

2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
S-[6-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl] ethanethioate
CID 101498885
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
5-(5-octylthiophen-2-yl)thiophen-2-amine
CID 145051414
2-hexyl-5-[2,3,5,6-tetrafluoro-4-(5-hexylthiophen-2-yl)phenyl]thiophene
CID 102511967
2,5-diheptylthiophene
CID 607114
2-icosyl-5-[5-(2-octyldodecyl)thiophen-2-yl]thiophene
CID 24746555
2,5-bis[5-[2-(5-pentylthiophen-2-yl)ethynyl]thiophen-2-yl]thiophene
CID 101379220
4,10-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 86020599
2-hexyl-5-[5-[5-[13-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pentacen-6-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 101482940
[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 24744286

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane?
The IUPAC name of 2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane (CID 24744764) is 2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane is CCCCCCCCCCCCc1ccc(-c2ccc(-c3ccc(C4(CCC5(c6ccc(-c7ccc(-c8ccc(CCCCCCCCCCCC)s8)s7)s6)OCCO5)OCCO4)s3)s2)s1.
What is the InChIKey of 2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane?
The InChIKey is NDTTYHHKJBBURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H74O4S6/c1-3-5-7-9-11-13-15-17-19-21-23-43-25-27-45(61-43)47-29-31-49(63-47)51-33-35-53(65-51)55(57-39-40-58-55)37-38-56(59-41-42-60-56)54-36-34-52(66-54)50-32-30-48(64-50)46-28-26-44(62-46)24-22-20-18-16-14-12-10-8-6-4-2/h25-36H,3-24,37-42H2,1-2H3.
What are the key properties of 2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane?
2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane has a molecular weight of 1003.61 g/mol, XLogP of 19.53, 31 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[2-[2-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane is sourced from PubChem (CID 24744764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).