2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol

C44H34O4 — CID 175729954

IUPAC2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol
SMILESOCCOc1c(OCCO)c(-c2ccc(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc2c1-c1ccc2ccccc2c1
InChIInChI=1S/C44H34O4/c45-23-25-47-43-41(34-20-18-30-10-2-4-12-32(30)28-34)38-15-7-8-16-39(38)42(44(43)48-26-24-46)40-22-21-35(36-13-5-6-14-37(36)40)33-19-17-29-9-1-3-11-31(29)27-33/h1-22,27-28,45-46H,23-26H2
InChIKeyVKZKVXIFNPBETL-UHFFFAOYSA-N
MW626.75 g/mol
LogP10.04
Rot. Bonds9

About 2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol

2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol (PubChem CID 175729954) has the molecular formula C44H34O4 and a molecular weight of 626.75 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol
PubChem CID175729954
Molecular FormulaC44H34O4
Molecular Weight626.75 g/mol
Exact Mass626.25
IUPAC Name2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol
SMILESOCCOc1c(OCCO)c(-c2ccc(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc2c1-c1ccc2ccccc2c1
InChIInChI=1S/C44H34O4/c45-23-25-47-43-41(34-20-18-30-10-2-4-12-32(30)28-34)38-15-7-8-16-39(38)42(44(43)48-26-24-46)40-22-21-35(36-13-5-6-14-37(36)40)33-19-17-29-9-1-3-11-31(29)27-33/h1-22,27-28,45-46H,23-26H2
InChIKeyVKZKVXIFNPBETL-UHFFFAOYSA-N
XLogP10.04
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.75
LogP ≤ 510.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 123218552
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene
CID 143913988
ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 157325912
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol
CID 170219538
9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene
CID 159616187
9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 157304390
9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine
CID 143300939
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 123979832

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol?
The IUPAC name of 2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol (CID 175729954) is 2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol.
What is the SMILES notation for 2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol?
The canonical SMILES for 2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol is OCCOc1c(OCCO)c(-c2ccc(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc2c1-c1ccc2ccccc2c1.
What is the InChIKey of 2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol?
The InChIKey is VKZKVXIFNPBETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34O4/c45-23-25-47-43-41(34-20-18-30-10-2-4-12-32(30)28-34)38-15-7-8-16-39(38)42(44(43)48-26-24-46)40-22-21-35(36-13-5-6-14-37(36)40)33-19-17-29-9-1-3-11-31(29)27-33/h1-22,27-28,45-46H,23-26H2.
What are the key properties of 2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol?
2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol has a molecular weight of 626.75 g/mol, XLogP of 10.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol is sourced from PubChem (CID 175729954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).