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

C78H78O6 — CID 118667882

IUPAC2-[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
InChIInChI=1S/C78H78O6/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/h13-20,25-44,49-54,79-80H,3-12,21-24,45-48H2,1-2H3
InChIKeyYNFOMDNNDGFCCM-UHFFFAOYSA-N
MW1111.48 g/mol
LogP19.85
Rot. Bonds27

About 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

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 118667882) has the molecular formula C78H78O6 and a molecular weight of 1111.48 g/mol. Its IUPAC name is 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 Name2-[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 CID118667882
Molecular FormulaC78H78O6
Molecular Weight1111.48 g/mol
Exact Mass1110.58
IUPAC Name2-[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
InChIInChI=1S/C78H78O6/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/h13-20,25-44,49-54,79-80H,3-12,21-24,45-48H2,1-2H3
InChIKeyYNFOMDNNDGFCCM-UHFFFAOYSA-N
XLogP19.85
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001111.48
LogP ≤ 519.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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

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
9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
CID 166857178
[6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol
CID 160805609
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
1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol
CID 146486948
9-[4-octoxy-2-(3-octoxyphenyl)phenyl]fluoren-9-ol
CID 101242540
4-hexoxybenzene-1,2-diol
CID 23459322
2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyethyl methanesulfonate
CID 144725709
7-(3-octadecoxyphenyl)-7-phenylbicyclo[4.1.0]hepta-1,3,5-triene
CID 70303959
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one
CID 176819827

Frequently Asked Questions

What is the IUPAC name of 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 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) is 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 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 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.
What is the InChIKey of 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 YNFOMDNNDGFCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H78O6/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/h13-20,25-44,49-54,79-80H,3-12,21-24,45-48H2,1-2H3.
What are the key properties of 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?
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 1111.48 g/mol, XLogP of 19.85, 27 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 118667882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).