2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole

C111H108Br2N8O12 — CID 101485361

IUPAC2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole
SMILESCCCCCCOc1ccc(-c2nnc(-c3ccc(COc4cc(CC5(Cc6cc(OCc7ccc(-c8nnc(-c9ccc(OCCCCCC)cc9)o8)cc7)cc(OCc7ccc(-c8nnc(-c9ccc(OCCCCCC)cc9)o8)cc7)c6)c6cc(Br)ccc6-c6ccc(Br)cc65)cc(OCc5ccc(-c6nnc(-c7ccc(OCCCCCC)cc7)o6)cc5)c4)cc3)o2)cc1
InChIInChI=1S/C111H108Br2N8O12/c1-5-9-13-17-57-122-91-47-37-85(38-48-91)107-118-114-103(130-107)81-29-21-75(22-30-81)71-126-95-61-79(62-96(67-95)127-72-76-23-31-82(32-24-76)104-115-119-108(131-104)86-39-49-92(50-40-86)123-58-18-14-10-6-2)69-111(101-65-89(112)45-55-99(101)100-56-46-90(113)66-102(100)111)70-80-63-97(128-73-77-25-33-83(34-26-77)105-116-120-109(132-105)87-41-51-93(52-42-87)124-59-19-15-11-7-3)68-98(64-80)129-74-78-27-35-84(36-28-78)106-117-121-110(133-106)88-43-53-94(54-44-88)125-60-20-16-12-8-4/h21-56,61-68H,5-20,57-60,69-74H2,1-4H3
InChIKeyYZTIUUMJSNMLCL-UHFFFAOYSA-N
MW1905.94 g/mol
LogP28.98
Rot. Bonds48

About 2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole

2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole (PubChem CID 101485361) has the molecular formula C111H108Br2N8O12 and a molecular weight of 1905.94 g/mol. Its IUPAC name is 2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole
PubChem CID101485361
Molecular FormulaC111H108Br2N8O12
Molecular Weight1905.94 g/mol
Exact Mass1902.65
IUPAC Name2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole
SMILESCCCCCCOc1ccc(-c2nnc(-c3ccc(COc4cc(CC5(Cc6cc(OCc7ccc(-c8nnc(-c9ccc(OCCCCCC)cc9)o8)cc7)cc(OCc7ccc(-c8nnc(-c9ccc(OCCCCCC)cc9)o8)cc7)c6)c6cc(Br)ccc6-c6ccc(Br)cc65)cc(OCc5ccc(-c6nnc(-c7ccc(OCCCCCC)cc7)o6)cc5)c4)cc3)o2)cc1
InChIInChI=1S/C111H108Br2N8O12/c1-5-9-13-17-57-122-91-47-37-85(38-48-91)107-118-114-103(130-107)81-29-21-75(22-30-81)71-126-95-61-79(62-96(67-95)127-72-76-23-31-82(32-24-76)104-115-119-108(131-104)86-39-49-92(50-40-86)123-58-18-14-10-6-2)69-111(101-65-89(112)45-55-99(101)100-56-46-90(113)66-102(100)111)70-80-63-97(128-73-77-25-33-83(34-26-77)105-116-120-109(132-105)87-41-51-93(52-42-87)124-59-19-15-11-7-3)68-98(64-80)129-74-78-27-35-84(36-28-78)106-117-121-110(133-106)88-43-53-94(54-44-88)125-60-20-16-12-8-4/h21-56,61-68H,5-20,57-60,69-74H2,1-4H3
InChIKeyYZTIUUMJSNMLCL-UHFFFAOYSA-N
XLogP28.98
TPSA229.52 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds48
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001905.94
LogP ≤ 528.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[4-[6-(2,7-dibromo-9-hexylfluoren-9-yl)hexoxy]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 101384590
2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2,5-bis(4-octoxyphenyl)-1,3,4-oxadiazole
CID 102447909
2-[3,5-bis(9,9-dioctylfluoren-2-yl)phenyl]-5-(4-octoxyphenyl)-1,3,4-oxadiazole
CID 58961748
2-(4-octoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 139201252
2-[2,5-diethoxy-4-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-octoxyphenyl)-1,3,4-oxadiazole
CID 101367535
2-[3-heptoxy-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 101405011
2-[3-ethenyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-octoxyphenyl)-1,3,4-oxadiazole
CID 58468621
2-bromo-5-(4-butoxyphenyl)-1,3,4-oxadiazole
CID 114771327
5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 102420099
2-(4-bromophenyl)-5-(4-octylphenyl)-1,3,4-oxadiazole
CID 23522268

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole (CID 101485361) is 2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole is CCCCCCOc1ccc(-c2nnc(-c3ccc(COc4cc(CC5(Cc6cc(OCc7ccc(-c8nnc(-c9ccc(OCCCCCC)cc9)o8)cc7)cc(OCc7ccc(-c8nnc(-c9ccc(OCCCCCC)cc9)o8)cc7)c6)c6cc(Br)ccc6-c6ccc(Br)cc65)cc(OCc5ccc(-c6nnc(-c7ccc(OCCCCCC)cc7)o6)cc5)c4)cc3)o2)cc1.
What is the InChIKey of 2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is YZTIUUMJSNMLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H108Br2N8O12/c1-5-9-13-17-57-122-91-47-37-85(38-48-91)107-118-114-103(130-107)81-29-21-75(22-30-81)71-126-95-61-79(62-96(67-95)127-72-76-23-31-82(32-24-76)104-115-119-108(131-104)86-39-49-92(50-40-86)123-58-18-14-10-6-2)69-111(101-65-89(112)45-55-99(101)100-56-46-90(113)66-102(100)111)70-80-63-97(128-73-77-25-33-83(34-26-77)105-116-120-109(132-105)87-41-51-93(52-42-87)124-59-19-15-11-7-3)68-98(64-80)129-74-78-27-35-84(36-28-78)106-117-121-110(133-106)88-43-53-94(54-44-88)125-60-20-16-12-8-4/h21-56,61-68H,5-20,57-60,69-74H2,1-4H3.
What are the key properties of 2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole?
2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 1905.94 g/mol, XLogP of 28.98, 48 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[[9-[[3,5-bis[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenyl]methyl]-2,7-dibromofluoren-9-yl]methyl]-5-[[4-[5-(4-hexoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]phenoxy]methyl]phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 101485361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).