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

C66H50O4 — CID 155660366

IUPAC2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
SMILESOCCOc1ccc(C2(c3ccc(-c4ccc(C5(c6ccc(OCCO)c(-c7ccccc7)c6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1-c1ccccc1
InChIInChI=1S/C66H50O4/c67-39-41-69-63-37-35-51(43-57(63)47-15-3-1-4-16-47)65(59-23-11-7-19-53(59)54-20-8-12-24-60(54)65)49-31-27-45(28-32-49)46-29-33-50(34-30-46)66(61-25-13-9-21-55(61)56-22-10-14-26-62(56)66)52-36-38-64(70-42-40-68)58(44-52)48-17-5-2-6-18-48/h1-38,43-44,67-68H,39-42H2
InChIKeyLDQBNZYAAIRPLW-UHFFFAOYSA-N
MW907.12 g/mol
LogP14.16
Rot. Bonds13

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

2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol (PubChem CID 155660366) has the molecular formula C66H50O4 and a molecular weight of 907.12 g/mol. Its IUPAC name is 2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
PubChem CID155660366
Molecular FormulaC66H50O4
Molecular Weight907.12 g/mol
Exact Mass906.37
IUPAC Name2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
SMILESOCCOc1ccc(C2(c3ccc(-c4ccc(C5(c6ccc(OCCO)c(-c7ccccc7)c6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1-c1ccccc1
InChIInChI=1S/C66H50O4/c67-39-41-69-63-37-35-51(43-57(63)47-15-3-1-4-16-47)65(59-23-11-7-19-53(59)54-20-8-12-24-60(54)65)49-31-27-45(28-32-49)46-29-33-50(34-30-46)66(61-25-13-9-21-55(61)56-22-10-14-26-62(56)66)52-36-38-64(70-42-40-68)58(44-52)48-17-5-2-6-18-48/h1-38,43-44,67-68H,39-42H2
InChIKeyLDQBNZYAAIRPLW-UHFFFAOYSA-N
XLogP14.16
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.12
LogP ≤ 514.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol with MolForge

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Related Compounds

2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol
CID 142536418
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
3-[4-[9-[4-(3-hydroxypropoxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]propan-1-ol
CID 57260014
2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol
CID 139891141
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-[4-(2-phenylethynyl)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 171457332
2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 66672248
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
4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid
CID 69231179
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol
CID 171457359
2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol
CID 86027705
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
CID 163468079

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol?
The IUPAC name of 2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol (CID 155660366) is 2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol.
What is the SMILES notation for 2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol?
The canonical SMILES for 2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol is OCCOc1ccc(C2(c3ccc(-c4ccc(C5(c6ccc(OCCO)c(-c7ccccc7)c6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1-c1ccccc1.
What is the InChIKey of 2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol?
The InChIKey is LDQBNZYAAIRPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50O4/c67-39-41-69-63-37-35-51(43-57(63)47-15-3-1-4-16-47)65(59-23-11-7-19-53(59)54-20-8-12-24-60(54)65)49-31-27-45(28-32-49)46-29-33-50(34-30-46)66(61-25-13-9-21-55(61)56-22-10-14-26-62(56)66)52-36-38-64(70-42-40-68)58(44-52)48-17-5-2-6-18-48/h1-38,43-44,67-68H,39-42H2.
What are the key properties of 2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol?
2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol has a molecular weight of 907.12 g/mol, XLogP of 14.16, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol is sourced from PubChem (CID 155660366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).