2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol

C39H32O4 — CID 170283807

IUPAC2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol
SMILESOCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccc(-c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C39H32O4/c40-22-24-42-31-17-13-29(14-18-31)39(30-15-19-32(20-16-30)43-25-23-41)37-11-4-3-9-35(37)36-21-12-28(26-38(36)39)34-10-5-7-27-6-1-2-8-33(27)34/h1-21,26,40-41H,22-25H2
InChIKeyKUIDWTBGFSYRQJ-UHFFFAOYSA-N
MW564.68 g/mol
LogP7.61
Rot. Bonds9

About 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol

2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol (PubChem CID 170283807) has the molecular formula C39H32O4 and a molecular weight of 564.68 g/mol. Its IUPAC name is 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol
PubChem CID170283807
Molecular FormulaC39H32O4
Molecular Weight564.68 g/mol
Exact Mass564.23
IUPAC Name2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol
SMILESOCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccc(-c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C39H32O4/c40-22-24-42-31-17-13-29(14-18-31)39(30-15-19-32(20-16-30)43-25-23-41)37-11-4-3-9-35(37)36-21-12-28(26-38(36)39)34-10-5-7-27-6-1-2-8-33(27)34/h1-21,26,40-41H,22-25H2
InChIKeyKUIDWTBGFSYRQJ-UHFFFAOYSA-N
XLogP7.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.68
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol
CID 171457359
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)-3,5-bis(4-naphthalen-1-ylphenyl)phenyl]fluoren-9-yl]-2,6-bis(4-naphthalen-1-ylphenyl)phenoxy]ethanol
CID 172515739
2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 171457344
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-[4-(2-phenylethynyl)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 171457332
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol
CID 67052233
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol
CID 142536387
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol (CID 170283807) is 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol is OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccc(-c4cccc5ccccc45)cc32)cc1.
What is the InChIKey of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol?
The InChIKey is KUIDWTBGFSYRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32O4/c40-22-24-42-31-17-13-29(14-18-31)39(30-15-19-32(20-16-30)43-25-23-41)37-11-4-3-9-35(37)36-21-12-28(26-38(36)39)34-10-5-7-27-6-1-2-8-33(27)34/h1-21,26,40-41H,22-25H2.
What are the key properties of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol?
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol has a molecular weight of 564.68 g/mol, XLogP of 7.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol is sourced from PubChem (CID 170283807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).