6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol

C148H128O10 — CID 161116594

IUPAC6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol
SMILESCCCCCCCCOc1ccc(C2(c3ccc4cc(OCCCCOc5ccc6cc(C7(c8ccc(OCCCCCCCC)cc8O)c8ccccc8-c8ccccc87)ccc6c5)ccc4c3)c3ccccc3-c3ccccc32)c(O)c1.Oc1ccc2cc(C3(c4ccc5cc(OCCCCOc6ccc7cc(C8(c9ccc%10cc(O)ccc%10c9)c9ccccc9-c9ccccc98)ccc7c6)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C78H78O6.C70H50O4/c1-3-5-7-9-11-21-45-83-63-41-43-73(75(79)53-63)77(69-29-17-13-25-65(69)66-26-14-18-30-70(66)77)59-37-33-57-51-61(39-35-55(57)49-59)81-47-23-24-48-82-62-40-36-56-50-60(38-34-58(56)52-62)78(71-31-19-15-27-67(71)68-28-16-20-32-72(68)78)74-44-42-64(54-76(74)80)84-46-22-12-10-8-6-4-2;71-57-31-23-45-37-53(27-19-49(45)41-57)69(65-15-5-1-11-61(65)62-12-2-6-16-66(62)69)55-29-21-51-43-59(33-25-47(51)39-55)73-35-9-10-36-74-60-34-26-48-40-56(30-22-52(48)44-60)70(54-28-20-50-42-58(72)32-24-46(50)38-54)67-17-7-3-13-63(67)64-14-4-8-18-68(64)70/h13-20,25-44,49-54,79-80H,3-12,21-24,45-48H2,1-2H3;1-8,11-34,37-44,71-72H,9-10,35-36H2
InChIKeyUKKAKYYLDUGOJK-UHFFFAOYSA-N
MW2066.64 g/mol
LogP36.52
Rot. Bonds38

About 6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol

6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol (PubChem CID 161116594) has the molecular formula C148H128O10 and a molecular weight of 2066.64 g/mol. Its IUPAC name is 6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol.

Molecular Properties

Compound Name6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol
PubChem CID161116594
Molecular FormulaC148H128O10
Molecular Weight2066.64 g/mol
Exact Mass2064.95
IUPAC Name6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol
SMILESCCCCCCCCOc1ccc(C2(c3ccc4cc(OCCCCOc5ccc6cc(C7(c8ccc(OCCCCCCCC)cc8O)c8ccccc8-c8ccccc87)ccc6c5)ccc4c3)c3ccccc3-c3ccccc32)c(O)c1.Oc1ccc2cc(C3(c4ccc5cc(OCCCCOc6ccc7cc(C8(c9ccc%10cc(O)ccc%10c9)c9ccccc9-c9ccccc98)ccc7c6)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C78H78O6.C70H50O4/c1-3-5-7-9-11-21-45-83-63-41-43-73(75(79)53-63)77(69-29-17-13-25-65(69)66-26-14-18-30-70(66)77)59-37-33-57-51-61(39-35-55(57)49-59)81-47-23-24-48-82-62-40-36-56-50-60(38-34-58(56)52-62)78(71-31-19-15-27-67(71)68-28-16-20-32-72(68)78)74-44-42-64(54-76(74)80)84-46-22-12-10-8-6-4-2;71-57-31-23-45-37-53(27-19-49(45)41-57)69(65-15-5-1-11-61(65)62-12-2-6-16-66(62)69)55-29-21-51-43-59(33-25-47(51)39-55)73-35-9-10-36-74-60-34-26-48-40-56(30-22-52(48)44-60)70(54-28-20-50-42-58(72)32-24-46(50)38-54)67-17-7-3-13-63(67)64-14-4-8-18-68(64)70/h13-20,25-44,49-54,79-80H,3-12,21-24,45-48H2,1-2H3;1-8,11-34,37-44,71-72H,9-10,35-36H2
InChIKeyUKKAKYYLDUGOJK-UHFFFAOYSA-N
XLogP36.52
TPSA136.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds38
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002066.64
LogP ≤ 536.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol with MolForge

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Related Compounds

2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol
CID 118667882
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
CID 166857178
4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118667876
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233
[6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol
CID 160805609
anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158196216
anthracene-1,8-diol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 159179801
1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol
CID 146486948
7-(3-octadecoxyphenyl)-7-phenylbicyclo[4.1.0]hepta-1,3,5-triene
CID 70303959
2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyethyl methanesulfonate
CID 144725709
11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158052196

Frequently Asked Questions

What is the IUPAC name of 6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol?
The IUPAC name of 6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol (CID 161116594) is 6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol.
What is the SMILES notation for 6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol?
The canonical SMILES for 6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol is CCCCCCCCOc1ccc(C2(c3ccc4cc(OCCCCOc5ccc6cc(C7(c8ccc(OCCCCCCCC)cc8O)c8ccccc8-c8ccccc87)ccc6c5)ccc4c3)c3ccccc3-c3ccccc32)c(O)c1.Oc1ccc2cc(C3(c4ccc5cc(OCCCCOc6ccc7cc(C8(c9ccc%10cc(O)ccc%10c9)c9ccccc9-c9ccccc98)ccc7c6)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1.
What is the InChIKey of 6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol?
The InChIKey is UKKAKYYLDUGOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H78O6.C70H50O4/c1-3-5-7-9-11-21-45-83-63-41-43-73(75(79)53-63)77(69-29-17-13-25-65(69)66-26-14-18-30-70(66)77)59-37-33-57-51-61(39-35-55(57)49-59)81-47-23-24-48-82-62-40-36-56-50-60(38-34-58(56)52-62)78(71-31-19-15-27-67(71)68-28-16-20-32-72(68)78)74-44-42-64(54-76(74)80)84-46-22-12-10-8-6-4-2;71-57-31-23-45-37-53(27-19-49(45)41-57)69(65-15-5-1-11-61(65)62-12-2-6-16-66(62)69)55-29-21-51-43-59(33-25-47(51)39-55)73-35-9-10-36-74-60-34-26-48-40-56(30-22-52(48)44-60)70(54-28-20-50-42-58(72)32-24-46(50)38-54)67-17-7-3-13-63(67)64-14-4-8-18-68(64)70/h13-20,25-44,49-54,79-80H,3-12,21-24,45-48H2,1-2H3;1-8,11-34,37-44,71-72H,9-10,35-36H2.
What are the key properties of 6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol?
6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol has a molecular weight of 2066.64 g/mol, XLogP of 36.52, 38 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol is sourced from PubChem (CID 161116594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).