2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol

C41H34O4 — CID 67052233

IUPAC2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol
SMILESOCCOc1ccc(-c2cccc(C3(c4cccc(-c5ccc(OCCO)cc5)c4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C41H34O4/c42-23-25-44-35-19-15-29(16-20-35)31-7-5-9-33(27-31)41(39-13-3-1-11-37(39)38-12-2-4-14-40(38)41)34-10-6-8-32(28-34)30-17-21-36(22-18-30)45-26-24-43/h1-22,27-28,42-43H,23-26H2
InChIKeyFYHPTYKBVIXVKN-UHFFFAOYSA-N
MW590.72 g/mol
LogP8.13
Rot. Bonds10

About 2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol

2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol (PubChem CID 67052233) has the molecular formula C41H34O4 and a molecular weight of 590.72 g/mol. Its IUPAC name is 2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol
PubChem CID67052233
Molecular FormulaC41H34O4
Molecular Weight590.72 g/mol
Exact Mass590.25
IUPAC Name2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol
SMILESOCCOc1ccc(-c2cccc(C3(c4cccc(-c5ccc(OCCO)cc5)c4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C41H34O4/c42-23-25-44-35-19-15-29(16-20-35)31-7-5-9-33(27-31)41(39-13-3-1-11-37(39)38-12-2-4-14-40(38)41)34-10-6-8-32(28-34)30-17-21-36(22-18-30)45-26-24-43/h1-22,27-28,42-43H,23-26H2
InChIKeyFYHPTYKBVIXVKN-UHFFFAOYSA-N
XLogP8.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.72
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-[4-(2-phenylethynyl)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 171457332
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol
CID 171457359
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol
CID 170283807
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
CID 155660366
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
CID 163468079
2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 155473515
3-[4-[9-[4-(3-hydroxypropoxy)phenyl]-2-naphthalen-2-ylfluoren-9-yl]phenoxy]propan-1-ol
CID 171457350
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate
CID 71033273
2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene
CID 123153262
2-[4-[9-[4-(2-hydroxyethoxy)-3,5-bis(4-naphthalen-1-ylphenyl)phenyl]fluoren-9-yl]-2,6-bis(4-naphthalen-1-ylphenyl)phenoxy]ethanol
CID 172515739
2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol
CID 142536418

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol (CID 67052233) is 2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol is OCCOc1ccc(-c2cccc(C3(c4cccc(-c5ccc(OCCO)cc5)c4)c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol?
The InChIKey is FYHPTYKBVIXVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34O4/c42-23-25-44-35-19-15-29(16-20-35)31-7-5-9-33(27-31)41(39-13-3-1-11-37(39)38-12-2-4-14-40(38)41)34-10-6-8-32(28-34)30-17-21-36(22-18-30)45-26-24-43/h1-22,27-28,42-43H,23-26H2.
What are the key properties of 2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol?
2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol has a molecular weight of 590.72 g/mol, XLogP of 8.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol is sourced from PubChem (CID 67052233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).