3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

C120H170S12 — CID 15216166

IUPAC3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCCCCCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4cc(CCCCCCCCCCCC)c(-c5ccc(-c6ccc(-c7sc(-c8cc(CCCCCCCCCCCC)c(-c9ccc(-c%10ccc(-c%11sccc%11CCCCCCCCCCCC)s%10)s9)s8)cc7CCCCCCCCCCCC)s6)s5)s4)cc3CCCCCCCCCCCC)s2)s1
InChIInChI=1S/C120H170S12/c1-7-13-19-25-31-37-43-49-55-61-67-93-85-87-121-115(93)105-79-73-99(123-105)101-75-81-107(125-101)117-95(69-63-57-51-45-39-33-27-21-15-9-3)89-111(129-117)113-91-97(71-65-59-53-47-41-35-29-23-17-11-5)119(131-113)109-83-77-103(127-109)104-78-84-110(128-104)120-98(72-66-60-54-48-42-36-30-24-18-12-6)92-114(132-120)112-90-96(70-64-58-52-46-40-34-28-22-16-10-4)118(130-112)108-82-76-102(126-108)100-74-80-106(124-100)116-94(86-88-122-116)68-62-56-50-44-38-32-26-20-14-8-2/h73-92H,7-72H2,1-6H3
InChIKeyDETGPVXNTZQALV-UHFFFAOYSA-N
MW1997.48 g/mol
LogP47.54
Rot. Bonds77

About 3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 15216166) has the molecular formula C120H170S12 and a molecular weight of 1997.48 g/mol. Its IUPAC name is 3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID15216166
Molecular FormulaC120H170S12
Molecular Weight1997.48 g/mol
Exact Mass1995.00
IUPAC Name3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCCCCCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4cc(CCCCCCCCCCCC)c(-c5ccc(-c6ccc(-c7sc(-c8cc(CCCCCCCCCCCC)c(-c9ccc(-c%10ccc(-c%11sccc%11CCCCCCCCCCCC)s%10)s9)s8)cc7CCCCCCCCCCCC)s6)s5)s4)cc3CCCCCCCCCCCC)s2)s1
InChIInChI=1S/C120H170S12/c1-7-13-19-25-31-37-43-49-55-61-67-93-85-87-121-115(93)105-79-73-99(123-105)101-75-81-107(125-101)117-95(69-63-57-51-45-39-33-27-21-15-9-3)89-111(129-117)113-91-97(71-65-59-53-47-41-35-29-23-17-11-5)119(131-113)109-83-77-103(127-109)104-78-84-110(128-104)120-98(72-66-60-54-48-42-36-30-24-18-12-6)92-114(132-120)112-90-96(70-64-58-52-46-40-34-28-22-16-10-4)118(130-112)108-82-76-102(126-108)100-74-80-106(124-100)116-94(86-88-122-116)68-62-56-50-44-38-32-26-20-14-8-2/h73-92H,7-72H2,1-6H3
InChIKeyDETGPVXNTZQALV-UHFFFAOYSA-N
XLogP47.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds77
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001997.48
LogP ≤ 547.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (CID 15216166) is 3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is CCCCCCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4cc(CCCCCCCCCCCC)c(-c5ccc(-c6ccc(-c7sc(-c8cc(CCCCCCCCCCCC)c(-c9ccc(-c%10ccc(-c%11sccc%11CCCCCCCCCCCC)s%10)s9)s8)cc7CCCCCCCCCCCC)s6)s5)s4)cc3CCCCCCCCCCCC)s2)s1.
What is the InChIKey of 3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is DETGPVXNTZQALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H170S12/c1-7-13-19-25-31-37-43-49-55-61-67-93-85-87-121-115(93)105-79-73-99(123-105)101-75-81-107(125-101)117-95(69-63-57-51-45-39-33-27-21-15-9-3)89-111(129-117)113-91-97(71-65-59-53-47-41-35-29-23-17-11-5)119(131-113)109-83-77-103(127-109)104-78-84-110(128-104)120-98(72-66-60-54-48-42-36-30-24-18-12-6)92-114(132-120)112-90-96(70-64-58-52-46-40-34-28-22-16-10-4)118(130-112)108-82-76-102(126-108)100-74-80-106(124-100)116-94(86-88-122-116)68-62-56-50-44-38-32-26-20-14-8-2/h73-92H,7-72H2,1-6H3.
What are the key properties of 3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 1997.48 g/mol, XLogP of 47.54, 77 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-2-[5-[5-[3-dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 15216166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).