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

C108H154N8O10 — CID 132849584

IUPAC2-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-5-[5-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole
SMILESCCCCCCCCOc1ccc(-c2nc3ccc(-c4nnc(-c5nnc(-c6ccc7nc(-c8ccc(OCCCCCCCC)c(OCCCCCCCC)c8)c(-c8ccc(OCCCCCCCC)c(OCCCCCCCC)c8)nc7c6)o5)o4)cc3nc2-c2ccc(OCCCCCCCC)c(OCCCCCCCC)c2)cc1OCCCCCCCC
InChIInChI=1S/C108H154N8O10/c1-9-17-25-33-41-49-69-117-93-65-59-83(79-97(93)121-73-53-45-37-29-21-13-5)101-103(85-61-67-95(119-71-51-43-35-27-19-11-3)99(81-85)123-75-55-47-39-31-23-15-7)111-91-77-87(57-63-89(91)109-101)105-113-115-107(125-105)108-116-114-106(126-108)88-58-64-90-92(78-88)112-104(86-62-68-96(120-72-52-44-36-28-20-12-4)100(82-86)124-76-56-48-40-32-24-16-8)102(110-90)84-60-66-94(118-70-50-42-34-26-18-10-2)98(80-84)122-74-54-46-38-30-22-14-6/h57-68,77-82H,9-56,69-76H2,1-8H3
InChIKeyGSUSTQNVMXDCDA-UHFFFAOYSA-N
MW1724.47 g/mol
LogP31.92
Rot. Bonds71

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

2-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-5-[5-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole (PubChem CID 132849584) has the molecular formula C108H154N8O10 and a molecular weight of 1724.47 g/mol. Its IUPAC name is 2-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-5-[5-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-5-[5-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole
PubChem CID132849584
Molecular FormulaC108H154N8O10
Molecular Weight1724.47 g/mol
Exact Mass1723.18
IUPAC Name2-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-5-[5-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole
SMILESCCCCCCCCOc1ccc(-c2nc3ccc(-c4nnc(-c5nnc(-c6ccc7nc(-c8ccc(OCCCCCCCC)c(OCCCCCCCC)c8)c(-c8ccc(OCCCCCCCC)c(OCCCCCCCC)c8)nc7c6)o5)o4)cc3nc2-c2ccc(OCCCCCCCC)c(OCCCCCCCC)c2)cc1OCCCCCCCC
InChIInChI=1S/C108H154N8O10/c1-9-17-25-33-41-49-69-117-93-65-59-83(79-97(93)121-73-53-45-37-29-21-13-5)101-103(85-61-67-95(119-71-51-43-35-27-19-11-3)99(81-85)123-75-55-47-39-31-23-15-7)111-91-77-87(57-63-89(91)109-101)105-113-115-107(125-105)108-116-114-106(126-108)88-58-64-90-92(78-88)112-104(86-62-68-96(120-72-52-44-36-28-20-12-4)100(82-86)124-76-56-48-40-32-24-16-8)102(110-90)84-60-66-94(118-70-50-42-34-26-18-10-2)98(80-84)122-74-54-46-38-30-22-14-6/h57-68,77-82H,9-56,69-76H2,1-8H3
InChIKeyGSUSTQNVMXDCDA-UHFFFAOYSA-N
XLogP31.92
TPSA203.24 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds71
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001724.47
LogP ≤ 531.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-5-[5-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2,3-bis(3,4-dioctoxyphenyl)quinoxaline-6,7-diamine
CID 102597963
2-(3,4,5-trihexadecoxyphenyl)-5-[4-[5-(3,4,5-trihexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102389627
2-[3,4,5-tri(tetradecoxy)phenyl]-5-[4-[5-[3,4,5-tri(tetradecoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102441025
4-(3,4-dihexoxyphenyl)-1,2-dihexoxybenzene
CID 14937397
4-(3,4-dipentoxyphenyl)-1,2-dipentoxybenzene
CID 11409401
3,6-bis(3,4-dipentoxyphenyl)-1,2,4,5-tetrazine
CID 102109061
2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684
2,5-bis(4-octoxyphenyl)-1,3,4-oxadiazole
CID 102447909
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2-(3,4-dipentoxyphenyl)-3,6,7,10,11-pentahexoxytriphenylene
CID 132990482
2-(4-butoxy-3-methoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 16769325

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-5-[5-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-5-[5-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole (CID 132849584) is 2-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-5-[5-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-5-[5-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-5-[5-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole is CCCCCCCCOc1ccc(-c2nc3ccc(-c4nnc(-c5nnc(-c6ccc7nc(-c8ccc(OCCCCCCCC)c(OCCCCCCCC)c8)c(-c8ccc(OCCCCCCCC)c(OCCCCCCCC)c8)nc7c6)o5)o4)cc3nc2-c2ccc(OCCCCCCCC)c(OCCCCCCCC)c2)cc1OCCCCCCCC.
What is the InChIKey of 2-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-5-[5-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole?
The InChIKey is GSUSTQNVMXDCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H154N8O10/c1-9-17-25-33-41-49-69-117-93-65-59-83(79-97(93)121-73-53-45-37-29-21-13-5)101-103(85-61-67-95(119-71-51-43-35-27-19-11-3)99(81-85)123-75-55-47-39-31-23-15-7)111-91-77-87(57-63-89(91)109-101)105-113-115-107(125-105)108-116-114-106(126-108)88-58-64-90-92(78-88)112-104(86-62-68-96(120-72-52-44-36-28-20-12-4)100(82-86)124-76-56-48-40-32-24-16-8)102(110-90)84-60-66-94(118-70-50-42-34-26-18-10-2)98(80-84)122-74-54-46-38-30-22-14-6/h57-68,77-82H,9-56,69-76H2,1-8H3.
What are the key properties of 2-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-5-[5-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole?
2-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-5-[5-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole has a molecular weight of 1724.47 g/mol, XLogP of 31.92, 71 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-dioctoxyphenyl)quinoxalin-6-yl]-5-[5-[2,3-bis(3,4-dioctoxyphenyl)quinoxalin-6-yl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 132849584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).