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

C93H66O4 — CID 172515739

IUPAC2-[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
SMILESOCCOc1c(-c2ccc(-c3cccc4ccccc34)cc2)cc(C2(c3cc(-c4ccc(-c5cccc6ccccc56)cc4)c(OCCO)c(-c4ccc(-c5cccc6ccccc56)cc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C93H66O4/c94-53-55-96-91-85(69-45-37-65(38-46-69)79-31-13-21-61-17-1-5-25-75(61)79)57-73(58-86(91)70-47-39-66(40-48-70)80-32-14-22-62-18-2-6-26-76(62)80)93(89-35-11-9-29-83(89)84-30-10-12-36-90(84)93)74-59-87(71-49-41-67(42-50-71)81-33-15-23-63-19-3-7-27-77(63)81)92(97-56-54-95)88(60-74)72-51-43-68(44-52-72)82-34-16-24-64-20-4-8-28-78(64)82/h1-52,57-60,94-95H,53-56H2
InChIKeyHEXKNAQYPMUZMB-UHFFFAOYSA-N
MW1247.55 g/mol
LogP22.74
Rot. Bonds16

About 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

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 (PubChem CID 172515739) has the molecular formula C93H66O4 and a molecular weight of 1247.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID172515739
Molecular FormulaC93H66O4
Molecular Weight1247.55 g/mol
Exact Mass1246.50
IUPAC Name2-[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
SMILESOCCOc1c(-c2ccc(-c3cccc4ccccc34)cc2)cc(C2(c3cc(-c4ccc(-c5cccc6ccccc56)cc4)c(OCCO)c(-c4ccc(-c5cccc6ccccc56)cc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C93H66O4/c94-53-55-96-91-85(69-45-37-65(38-46-69)79-31-13-21-61-17-1-5-25-75(61)79)57-73(58-86(91)70-47-39-66(40-48-70)80-32-14-22-62-18-2-6-26-76(62)80)93(89-35-11-9-29-83(89)84-30-10-12-36-90(84)93)74-59-87(71-49-41-67(42-50-71)81-33-15-23-63-19-3-7-27-77(63)81)92(97-56-54-95)88(60-74)72-51-43-68(44-52-72)82-34-16-24-64-20-4-8-28-78(64)82/h1-52,57-60,94-95H,53-56H2
InChIKeyHEXKNAQYPMUZMB-UHFFFAOYSA-N
XLogP22.74
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001247.55
LogP ≤ 522.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol
CID 170283807
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol
CID 67052233
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-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate
CID 163736073
9-[3-[9-[3,5-bis(10-naphthalen-1-ylanthracen-9-yl)phenyl]fluoren-9-yl]-5-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-[9-[3,5-bis[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]fluoren-9-yl]-5-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene
CID 159691196
2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
CID 155660366
9-naphthalen-2-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 123292733
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol
CID 171457359
2-[4-[4-(2-hydroxyethoxy)-3,5-dinaphthalen-1-ylphenyl]sulfanyl-2,6-dinaphthalen-1-ylphenoxy]ethanol
CID 167506448
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is OCCOc1c(-c2ccc(-c3cccc4ccccc34)cc2)cc(C2(c3cc(-c4ccc(-c5cccc6ccccc56)cc4)c(OCCO)c(-c4ccc(-c5cccc6ccccc56)cc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is HEXKNAQYPMUZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H66O4/c94-53-55-96-91-85(69-45-37-65(38-46-69)79-31-13-21-61-17-1-5-25-75(61)79)57-73(58-86(91)70-47-39-66(40-48-70)80-32-14-22-62-18-2-6-26-76(62)80)93(89-35-11-9-29-83(89)84-30-10-12-36-90(84)93)74-59-87(71-49-41-67(42-50-71)81-33-15-23-63-19-3-7-27-77(63)81)92(97-56-54-95)88(60-74)72-51-43-68(44-52-72)82-34-16-24-64-20-4-8-28-78(64)82/h1-52,57-60,94-95H,53-56H2.
What are the key properties of 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?
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 has a molecular weight of 1247.55 g/mol, XLogP of 22.74, 16 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)-3,5-bis(4-naphthalen-1-ylphenyl)phenyl]fluoren-9-yl]-2,6-bis(4-naphthalen-1-ylphenyl)phenoxy]ethanol is sourced from PubChem (CID 172515739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).