2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate

C133H110O15 — CID 158566083

IUPAC2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate
SMILESCOCCOc1ccc2cc(-c3ccc4ccccc4c3)ccc2c1-c1c(OCCOC(C)=O)ccc2cc(-c3ccc4ccccc4c3)ccc12.COCCOc1ccc2cc(-c3cccc4ccccc34)ccc2c1-c1c(OCCOC(C)=O)ccc2cc(-c3cccc4ccccc34)ccc12.COCCOc1ccc2cc(-c3ccccc3)ccc2c1-c1c(OCCOC(C)=O)ccc2cc(-c3ccccc3)ccc12
InChIInChI=1S/2C47H38O5.C39H34O5/c1-31(48)50-27-28-52-45-24-20-37-30-35(41-16-8-12-33-10-4-6-14-39(33)41)18-22-43(37)47(45)46-42-21-17-34(29-36(42)19-23-44(46)51-26-25-49-2)40-15-7-11-32-9-3-5-13-38(32)40;1-31(48)50-25-26-52-45-22-18-41-30-39(37-14-12-33-8-4-6-10-35(33)28-37)16-20-43(41)47(45)46-42-19-15-38(29-40(42)17-21-44(46)51-24-23-49-2)36-13-11-32-7-3-5-9-34(32)27-36;1-27(40)42-23-24-44-37-20-16-33-26-31(29-11-7-4-8-12-29)14-18-35(33)39(37)38-34-17-13-30(28-9-5-3-6-10-28)25-32(34)15-19-36(38)43-22-21-41-2/h3-24,29-30H,25-28H2,1-2H3;3-22,27-30H,23-26H2,1-2H3;3-20,25-26H,21-24H2,1-2H3
InChIKeyHRMKRCPQMRIFRX-UHFFFAOYSA-N
MW1948.33 g/mol
LogP31.50
Rot. Bonds33

About 2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate

2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate (PubChem CID 158566083) has the molecular formula C133H110O15 and a molecular weight of 1948.33 g/mol. Its IUPAC name is 2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate.

Molecular Properties

Compound Name2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate
PubChem CID158566083
Molecular FormulaC133H110O15
Molecular Weight1948.33 g/mol
Exact Mass1946.78
IUPAC Name2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate
SMILESCOCCOc1ccc2cc(-c3ccc4ccccc4c3)ccc2c1-c1c(OCCOC(C)=O)ccc2cc(-c3ccc4ccccc4c3)ccc12.COCCOc1ccc2cc(-c3cccc4ccccc34)ccc2c1-c1c(OCCOC(C)=O)ccc2cc(-c3cccc4ccccc34)ccc12.COCCOc1ccc2cc(-c3ccccc3)ccc2c1-c1c(OCCOC(C)=O)ccc2cc(-c3ccccc3)ccc12
InChIInChI=1S/2C47H38O5.C39H34O5/c1-31(48)50-27-28-52-45-24-20-37-30-35(41-16-8-12-33-10-4-6-14-39(33)41)18-22-43(37)47(45)46-42-21-17-34(29-36(42)19-23-44(46)51-26-25-49-2)40-15-7-11-32-9-3-5-13-38(32)40;1-31(48)50-25-26-52-45-22-18-41-30-39(37-14-12-33-8-4-6-10-35(33)28-37)16-20-43(41)47(45)46-42-19-15-38(29-40(42)17-21-44(46)51-24-23-49-2)36-13-11-32-7-3-5-9-34(32)27-36;1-27(40)42-23-24-44-37-20-16-33-26-31(29-11-7-4-8-12-29)14-18-35(33)39(37)38-34-17-13-30(28-9-5-3-6-10-28)25-32(34)15-19-36(38)43-22-21-41-2/h3-24,29-30H,25-28H2,1-2H3;3-22,27-30H,23-26H2,1-2H3;3-20,25-26H,21-24H2,1-2H3
InChIKeyHRMKRCPQMRIFRX-UHFFFAOYSA-N
XLogP31.50
TPSA161.97 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001948.33
LogP ≤ 531.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate with MolForge

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Related Compounds

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
2-[1-[2-(2-methoxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 144623852
2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid
CID 142535552
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(3-phenylphenyl)anthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene
CID 157305293
1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
CID 157179117
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 159387221
2-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;2-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-9-phenylanthracene;2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-9-phenylanthracene;9-phenyl-10-[4-(3-phenylphenyl)phenyl]anthracene;9-phenyl-10-[4-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 158805732
1-[4-[3-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]naphthalene
CID 168844837

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate?
The IUPAC name of 2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate (CID 158566083) is 2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate.
What is the SMILES notation for 2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate?
The canonical SMILES for 2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate is COCCOc1ccc2cc(-c3ccc4ccccc4c3)ccc2c1-c1c(OCCOC(C)=O)ccc2cc(-c3ccc4ccccc4c3)ccc12.COCCOc1ccc2cc(-c3cccc4ccccc34)ccc2c1-c1c(OCCOC(C)=O)ccc2cc(-c3cccc4ccccc34)ccc12.COCCOc1ccc2cc(-c3ccccc3)ccc2c1-c1c(OCCOC(C)=O)ccc2cc(-c3ccccc3)ccc12.
What is the InChIKey of 2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate?
The InChIKey is HRMKRCPQMRIFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H38O5.C39H34O5/c1-31(48)50-27-28-52-45-24-20-37-30-35(41-16-8-12-33-10-4-6-14-39(33)41)18-22-43(37)47(45)46-42-21-17-34(29-36(42)19-23-44(46)51-26-25-49-2)40-15-7-11-32-9-3-5-13-38(32)40;1-31(48)50-25-26-52-45-22-18-41-30-39(37-14-12-33-8-4-6-10-35(33)28-37)16-20-43(41)47(45)46-42-19-15-38(29-40(42)17-21-44(46)51-24-23-49-2)36-13-11-32-7-3-5-9-34(32)27-36;1-27(40)42-23-24-44-37-20-16-33-26-31(29-11-7-4-8-12-29)14-18-35(33)39(37)38-34-17-13-30(28-9-5-3-6-10-28)25-32(34)15-19-36(38)43-22-21-41-2/h3-24,29-30H,25-28H2,1-2H3;3-22,27-30H,23-26H2,1-2H3;3-20,25-26H,21-24H2,1-2H3.
What are the key properties of 2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate?
2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate has a molecular weight of 1948.33 g/mol, XLogP of 31.50, 33 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate is sourced from PubChem (CID 158566083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).