2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol

C51H42O4 — CID 142536393

IUPAC2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol
SMILESCc1cc(C2(c3ccc(OCCO)c(C)c3)c3cccc(-c4ccc5ccccc5c4)c3-c3c(-c4ccc5ccccc5c4)cccc32)ccc1OCCO
InChIInChI=1S/C51H42O4/c1-33-29-41(21-23-47(33)54-27-25-52)51(42-22-24-48(34(2)30-42)55-28-26-53)45-15-7-13-43(39-19-17-35-9-3-5-11-37(35)31-39)49(45)50-44(14-8-16-46(50)51)40-20-18-36-10-4-6-12-38(36)32-40/h3-24,29-32,52-53H,25-28H2,1-2H3
InChIKeyIZYDBXRJSMODHO-UHFFFAOYSA-N
MW718.89 g/mol
LogP11.05
Rot. Bonds10

About 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol

2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol (PubChem CID 142536393) has the molecular formula C51H42O4 and a molecular weight of 718.89 g/mol. Its IUPAC name is 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol
PubChem CID142536393
Molecular FormulaC51H42O4
Molecular Weight718.89 g/mol
Exact Mass718.31
IUPAC Name2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol
SMILESCc1cc(C2(c3ccc(OCCO)c(C)c3)c3cccc(-c4ccc5ccccc5c4)c3-c3c(-c4ccc5ccccc5c4)cccc32)ccc1OCCO
InChIInChI=1S/C51H42O4/c1-33-29-41(21-23-47(33)54-27-25-52)51(42-22-24-48(34(2)30-42)55-28-26-53)45-15-7-13-43(39-19-17-35-9-3-5-11-37(35)31-39)49(45)50-44(14-8-16-46(50)51)40-20-18-36-10-4-6-12-38(36)32-40/h3-24,29-32,52-53H,25-28H2,1-2H3
InChIKeyIZYDBXRJSMODHO-UHFFFAOYSA-N
XLogP11.05
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.89
LogP ≤ 511.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol with MolForge

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Related Compounds

4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol
CID 142536435
3-[4-[9-[4-(3-hydroxypropoxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]propan-1-ol
CID 57260014
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]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol
CID 171457359
5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene
CID 123832328
2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
CID 155660366
9,9-bis(4-ethoxy-3-methylphenyl)fluorene
CID 143337003
2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-1,8-di(thiophen-3-yl)fluoren-9-yl]-2-methylphenoxy]ethanol
CID 154629949
2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol
CID 160930639
3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol
CID 170219538
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]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol
CID 170283807

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol?
The IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol (CID 142536393) is 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol.
What is the SMILES notation for 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol?
The canonical SMILES for 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol is Cc1cc(C2(c3ccc(OCCO)c(C)c3)c3cccc(-c4ccc5ccccc5c4)c3-c3c(-c4ccc5ccccc5c4)cccc32)ccc1OCCO.
What is the InChIKey of 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol?
The InChIKey is IZYDBXRJSMODHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42O4/c1-33-29-41(21-23-47(33)54-27-25-52)51(42-22-24-48(34(2)30-42)55-28-26-53)45-15-7-13-43(39-19-17-35-9-3-5-11-37(35)31-39)49(45)50-44(14-8-16-46(50)51)40-20-18-36-10-4-6-12-38(36)32-40/h3-24,29-32,52-53H,25-28H2,1-2H3.
What are the key properties of 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol?
2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol has a molecular weight of 718.89 g/mol, XLogP of 11.05, 10 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-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol is sourced from PubChem (CID 142536393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).