2-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-5-[3-[5-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

C146H222N8O10 — CID 132849583

About 2-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-5-[3-[5-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

2-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-5-[3-[5-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 132849583) has the molecular formula C146H222N8O10 and a molecular weight of 2249.43 g/mol. Its IUPAC name is 2-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-5-[3-[5-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-5-[3-[5-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
• PubChem CID: 132849583
• Molecular Formula: C146H222N8O10
• Molecular Weight: 2249.43 g/mol
• Exact Mass: 2247.71
• IUPAC Name: 2-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-5-[3-[5-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
• SMILES: CCCCCCCCCCCCOc1ccc(-c2nc3ccc(-c4nnc(-c5cccc(-c6nnc(-c7ccc8nc(-c9ccc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c9)c(-c9ccc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c9)nc8c7)o6)c5)o4)cc3nc2-c2ccc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c2)cc1OCCCCCCCCCCCC
• InChI: InChI=1S/C146H222N8O10/c1-9-17-25-33-41-49-57-65-73-81-104-155-131-100-94-119(115-135(131)159-108-85-77-69-61-53-45-37-29-21-13-5)139-141(121-96-102-133(157-106-83-75-67-59-51-43-35-27-19-11-3)137(117-121)161-110-87-79-71-63-55-47-39-31-23-15-7)149-129-113-125(92-98-127(129)147-139)145-153-151-143(163-145)123-90-89-91-124(112-123)144-152-154-146(164-144)126-93-99-128-130(114-126)150-142(122-97-103-134(158-107-84-76-68-60-52-44-36-28-20-12-4)138(118-122)162-111-88-80-72-64-56-48-40-32-24-16-8)140(148-128)120-95-101-132(156-105-82-74-66-58-50-42-34-26-18-10-2)136(116-120)160-109-86-78-70-62-54-46-38-30-22-14-6/h89-103,112-118H,9-88,104-111H2,1-8H3
• InChIKey: OTOWYVHZKLMFNR-UHFFFAOYSA-N
• XLogP: 46.07
• TPSA: 203.24 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 104
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2249.43
LogP ≤ 5	46.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-5-[3-[5-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-5-[3-[5-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (CID 132849583) is 2-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-5-[3-[5-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-5-[3-[5-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-5-[3-[5-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is CCCCCCCCCCCCOc1ccc(-c2nc3ccc(-c4nnc(-c5cccc(-c6nnc(-c7ccc8nc(-c9ccc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c9)c(-c9ccc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c9)nc8c7)o6)c5)o4)cc3nc2-c2ccc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c2)cc1OCCCCCCCCCCCC.

What is the InChIKey of 2-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-5-[3-[5-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?

The InChIKey is OTOWYVHZKLMFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C146H222N8O10/c1-9-17-25-33-41-49-57-65-73-81-104-155-131-100-94-119(115-135(131)159-108-85-77-69-61-53-45-37-29-21-13-5)139-141(121-96-102-133(157-106-83-75-67-59-51-43-35-27-19-11-3)137(117-121)161-110-87-79-71-63-55-47-39-31-23-15-7)149-129-113-125(92-98-127(129)147-139)145-153-151-143(163-145)123-90-89-91-124(112-123)144-152-154-146(164-144)126-93-99-128-130(114-126)150-142(122-97-103-134(158-107-84-76-68-60-52-44-36-28-20-12-4)138(118-122)162-111-88-80-72-64-56-48-40-32-24-16-8)140(148-128)120-95-101-132(156-105-82-74-66-58-50-42-34-26-18-10-2)136(116-120)160-109-86-78-70-62-54-46-38-30-22-14-6/h89-103,112-118H,9-88,104-111H2,1-8H3.

What are the key properties of 2-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-5-[3-[5-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?

2-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-5-[3-[5-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 2249.43 g/mol, XLogP of 46.07, 104 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-5-[3-[5-[2,3-bis(3,4-didodecoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 132849583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).