2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol

C88H90N2O10 — CID 87780185

IUPAC2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol
SMILESCCCCCCCCOc1ccc(-c2nnc(-c3cc(-c4ccc5c(c4)C(c4ccccc4CCOCCO)(c4ccccc4CCOCCO)c4ccccc4-5)cc(-c4ccc5c(c4)C(c4ccccc4CCOCCO)(c4ccccc4CCOCCO)c4ccccc4-5)c3)o2)cc1
InChIInChI=1S/C88H90N2O10/c1-2-3-4-5-6-19-48-99-72-36-32-66(33-37-72)85-89-90-86(100-85)71-58-69(67-34-38-75-73-24-11-17-30-81(73)87(83(75)60-67,77-26-13-7-20-62(77)40-49-95-53-44-91)78-27-14-8-21-63(78)41-50-96-54-45-92)57-70(59-71)68-35-39-76-74-25-12-18-31-82(74)88(84(76)61-68,79-28-15-9-22-64(79)42-51-97-55-46-93)80-29-16-10-23-65(80)43-52-98-56-47-94/h7-18,20-39,57-61,91-94H,2-6,19,40-56H2,1H3
InChIKeyXMEZWYZBCGWADN-UHFFFAOYSA-N
MW1335.69 g/mol
LogP16.41
Rot. Bonds36

About 2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol

2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol (PubChem CID 87780185) has the molecular formula C88H90N2O10 and a molecular weight of 1335.69 g/mol. Its IUPAC name is 2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol
PubChem CID87780185
Molecular FormulaC88H90N2O10
Molecular Weight1335.69 g/mol
Exact Mass1334.66
IUPAC Name2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol
SMILESCCCCCCCCOc1ccc(-c2nnc(-c3cc(-c4ccc5c(c4)C(c4ccccc4CCOCCO)(c4ccccc4CCOCCO)c4ccccc4-5)cc(-c4ccc5c(c4)C(c4ccccc4CCOCCO)(c4ccccc4CCOCCO)c4ccccc4-5)c3)o2)cc1
InChIInChI=1S/C88H90N2O10/c1-2-3-4-5-6-19-48-99-72-36-32-66(33-37-72)85-89-90-86(100-85)71-58-69(67-34-38-75-73-24-11-17-30-81(73)87(83(75)60-67,77-26-13-7-20-62(77)40-49-95-53-44-91)78-27-14-8-21-63(78)41-50-96-54-45-92)57-70(59-71)68-35-39-76-74-25-12-18-31-82(74)88(84(76)61-68,79-28-15-9-22-64(79)42-51-97-55-46-93)80-29-16-10-23-65(80)43-52-98-56-47-94/h7-18,20-39,57-61,91-94H,2-6,19,40-56H2,1H3
InChIKeyXMEZWYZBCGWADN-UHFFFAOYSA-N
XLogP16.41
TPSA165.99 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds36
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001335.69
LogP ≤ 516.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol with MolForge

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Related Compounds

2-[3,5-bis(9,9-dioctylfluoren-2-yl)phenyl]-5-(4-octoxyphenyl)-1,3,4-oxadiazole
CID 58961748
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
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-[6-(2,7-dibromo-9-hexylfluoren-9-yl)hexoxy]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 101384590
2,5-bis[4-(9,9-dioctylfluoren-2-yl)phenyl]-1,3,4-oxadiazole
CID 58609302
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-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 23136689
6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol
CID 102086579
2-[5-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-[7-[7-[7-(9,9-dioctyl-7-phenylfluoren-2-yl)-2,1,3-benzothiadiazol-4-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-5-(4-octoxyphenyl)-1,3,4-oxadiazole
CID 21042257
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol (CID 87780185) is 2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol is CCCCCCCCOc1ccc(-c2nnc(-c3cc(-c4ccc5c(c4)C(c4ccccc4CCOCCO)(c4ccccc4CCOCCO)c4ccccc4-5)cc(-c4ccc5c(c4)C(c4ccccc4CCOCCO)(c4ccccc4CCOCCO)c4ccccc4-5)c3)o2)cc1.
What is the InChIKey of 2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol?
The InChIKey is XMEZWYZBCGWADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H90N2O10/c1-2-3-4-5-6-19-48-99-72-36-32-66(33-37-72)85-89-90-86(100-85)71-58-69(67-34-38-75-73-24-11-17-30-81(73)87(83(75)60-67,77-26-13-7-20-62(77)40-49-95-53-44-91)78-27-14-8-21-63(78)41-50-96-54-45-92)57-70(59-71)68-35-39-76-74-25-12-18-31-82(74)88(84(76)61-68,79-28-15-9-22-64(79)42-51-97-55-46-93)80-29-16-10-23-65(80)43-52-98-56-47-94/h7-18,20-39,57-61,91-94H,2-6,19,40-56H2,1H3.
What are the key properties of 2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol?
2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol has a molecular weight of 1335.69 g/mol, XLogP of 16.41, 36 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[3-[9,9-bis[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-2-yl]-5-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol is sourced from PubChem (CID 87780185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).