2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol

C53H42O4 — CID 142536418

IUPAC2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol
SMILESOCCOc1ccc(C2(c3ccc(OCCO)c(-c4ccccc4)c3)c3ccc(-c4ccccc4)cc3-c3cc(-c4ccccc4)ccc32)cc1-c1ccccc1
InChIInChI=1S/C53H42O4/c54-29-31-56-51-27-23-43(35-45(51)39-17-9-3-10-18-39)53(44-24-28-52(57-32-30-55)46(36-44)40-19-11-4-12-20-40)49-25-21-41(37-13-5-1-6-14-37)33-47(49)48-34-42(22-26-50(48)53)38-15-7-2-8-16-38/h1-28,33-36,54-55H,29-32H2
InChIKeyJPSOEYPIBICKFW-UHFFFAOYSA-N
MW742.92 g/mol
LogP11.46
Rot. Bonds12

About 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol

2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol (PubChem CID 142536418) has the molecular formula C53H42O4 and a molecular weight of 742.92 g/mol. Its IUPAC name is 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol
PubChem CID142536418
Molecular FormulaC53H42O4
Molecular Weight742.92 g/mol
Exact Mass742.31
IUPAC Name2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol
SMILESOCCOc1ccc(C2(c3ccc(OCCO)c(-c4ccccc4)c3)c3ccc(-c4ccccc4)cc3-c3cc(-c4ccccc4)ccc32)cc1-c1ccccc1
InChIInChI=1S/C53H42O4/c54-29-31-56-51-27-23-43(35-45(51)39-17-9-3-10-18-39)53(44-24-28-52(57-32-30-55)46(36-44)40-19-11-4-12-20-40)49-25-21-41(37-13-5-1-6-14-37)33-47(49)48-34-42(22-26-50(48)53)38-15-7-2-8-16-38/h1-28,33-36,54-55H,29-32H2
InChIKeyJPSOEYPIBICKFW-UHFFFAOYSA-N
XLogP11.46
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.92
LogP ≤ 511.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol with MolForge

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Related Compounds

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-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
CID 146666746
2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol
CID 67052233
2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol
CID 86027705
2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 66672248
3,9,9-triphenylfluorene
CID 140844354
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-[4-(2-phenylethynyl)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 171457332
4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol
CID 142536353
3-[4-[9-[4-(3-hydroxypropoxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]propan-1-ol
CID 57260014
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol
CID 139891141
2-[1-[2-(2-hydroxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethanol;2-[1-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethanol
CID 163740877

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol?
The IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol (CID 142536418) is 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol.
What is the SMILES notation for 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol?
The canonical SMILES for 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol is OCCOc1ccc(C2(c3ccc(OCCO)c(-c4ccccc4)c3)c3ccc(-c4ccccc4)cc3-c3cc(-c4ccccc4)ccc32)cc1-c1ccccc1.
What is the InChIKey of 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol?
The InChIKey is JPSOEYPIBICKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42O4/c54-29-31-56-51-27-23-43(35-45(51)39-17-9-3-10-18-39)53(44-24-28-52(57-32-30-55)46(36-44)40-19-11-4-12-20-40)49-25-21-41(37-13-5-1-6-14-37)33-47(49)48-34-42(22-26-50(48)53)38-15-7-2-8-16-38/h1-28,33-36,54-55H,29-32H2.
What are the key properties of 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol?
2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol has a molecular weight of 742.92 g/mol, XLogP of 11.46, 12 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)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol is sourced from PubChem (CID 142536418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).