3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile;4-[5-[6-dibenzofuran-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzofuran;4-[5-[6-dibenzothiophen-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzothiophene

C140H108N2O14S2 — CID 165088120

About 3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile;4-[5-[6-dibenzofuran-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzofuran;4-[5-[6-dibenzothiophen-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzothiophene

3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile;4-[5-[6-dibenzofuran-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzofuran;4-[5-[6-dibenzothiophen-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzothiophene (PubChem CID 165088120) has the molecular formula C140H108N2O14S2 and a molecular weight of 2106.54 g/mol. Its IUPAC name is 3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile;4-[5-[6-dibenzofuran-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzofuran;4-[5-[6-dibenzothiophen-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzothiophene.

Molecular Properties

• Compound Name: 3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile;4-[5-[6-dibenzofuran-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzofuran;4-[5-[6-dibenzothiophen-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzothiophene
• PubChem CID: 165088120
• Molecular Formula: C140H108N2O14S2
• Molecular Weight: 2106.54 g/mol
• Exact Mass: 2104.72
• IUPAC Name: 3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile;4-[5-[6-dibenzofuran-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzofuran;4-[5-[6-dibenzothiophen-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzothiophene
• SMILES: COCCOc1ccc2cc(-c3cccc(C#N)c3)ccc2c1-c1c(OCCOC)ccc2cc(-c3cccc(C#N)c3)ccc12.COCCOc1ccc2cc(-c3cccc4c3oc3ccccc34)ccc2c1-c1c(OCCOC)ccc2cc(-c3cccc4c3oc3ccccc34)ccc12.COCCOc1ccc2cc(-c3cccc4c3sc3ccccc34)ccc2c1-c1c(OCCOC)ccc2cc(-c3cccc4c3sc3ccccc34)ccc12
• InChI: InChI=1S/C50H38O6.C50H38O4S2.C40H32N2O4/c1-51-25-27-53-45-23-19-31-29-33(37-11-7-13-41-39-9-3-5-15-43(39)55-49(37)41)17-21-35(31)47(45)48-36-22-18-34(30-32(36)20-24-46(48)54-28-26-52-2)38-12-8-14-42-40-10-4-6-16-44(40)56-50(38)42;1-51-25-27-53-43-23-19-31-29-33(37-11-7-13-41-39-9-3-5-15-45(39)55-49(37)41)17-21-35(31)47(43)48-36-22-18-34(30-32(36)20-24-44(48)54-28-26-52-2)38-12-8-14-42-40-10-4-6-16-46(40)56-50(38)42;1-43-17-19-45-37-15-11-33-23-31(29-7-3-5-27(21-29)25-41)9-13-35(33)39(37)40-36-14-10-32(30-8-4-6-28(22-30)26-42)24-34(36)12-16-38(40)46-20-18-44-2/h2*3-24,29-30H,25-28H2,1-2H3;3-16,21-24H,17-20H2,1-2H3
• InChIKey: WFVONPGYRAIGOC-UHFFFAOYSA-N
• XLogP: 35.41
• TPSA: 184.62 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 33
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2106.54
LogP ≤ 5	35.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile;4-[5-[6-dibenzofuran-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzofuran;4-[5-[6-dibenzothiophen-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzothiophene?

The IUPAC name of 3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile;4-[5-[6-dibenzofuran-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzofuran;4-[5-[6-dibenzothiophen-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzothiophene (CID 165088120) is 3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile;4-[5-[6-dibenzofuran-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzofuran;4-[5-[6-dibenzothiophen-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzothiophene.

What is the SMILES notation for 3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile;4-[5-[6-dibenzofuran-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzofuran;4-[5-[6-dibenzothiophen-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzothiophene?

The canonical SMILES for 3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile;4-[5-[6-dibenzofuran-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzofuran;4-[5-[6-dibenzothiophen-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzothiophene is COCCOc1ccc2cc(-c3cccc(C#N)c3)ccc2c1-c1c(OCCOC)ccc2cc(-c3cccc(C#N)c3)ccc12.COCCOc1ccc2cc(-c3cccc4c3oc3ccccc34)ccc2c1-c1c(OCCOC)ccc2cc(-c3cccc4c3oc3ccccc34)ccc12.COCCOc1ccc2cc(-c3cccc4c3sc3ccccc34)ccc2c1-c1c(OCCOC)ccc2cc(-c3cccc4c3sc3ccccc34)ccc12.

What is the InChIKey of 3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile;4-[5-[6-dibenzofuran-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzofuran;4-[5-[6-dibenzothiophen-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzothiophene?

The InChIKey is WFVONPGYRAIGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38O6.C50H38O4S2.C40H32N2O4/c1-51-25-27-53-45-23-19-31-29-33(37-11-7-13-41-39-9-3-5-15-43(39)55-49(37)41)17-21-35(31)47(45)48-36-22-18-34(30-32(36)20-24-46(48)54-28-26-52-2)38-12-8-14-42-40-10-4-6-16-44(40)56-50(38)42;1-51-25-27-53-43-23-19-31-29-33(37-11-7-13-41-39-9-3-5-15-45(39)55-49(37)41)17-21-35(31)47(43)48-36-22-18-34(30-32(36)20-24-44(48)54-28-26-52-2)38-12-8-14-42-40-10-4-6-16-46(40)56-50(38)42;1-43-17-19-45-37-15-11-33-23-31(29-7-3-5-27(21-29)25-41)9-13-35(33)39(37)40-36-14-10-32(30-8-4-6-28(22-30)26-42)24-34(36)12-16-38(40)46-20-18-44-2/h2*3-24,29-30H,25-28H2,1-2H3;3-16,21-24H,17-20H2,1-2H3.

What are the key properties of 3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile;4-[5-[6-dibenzofuran-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzofuran;4-[5-[6-dibenzothiophen-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzothiophene?

3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile;4-[5-[6-dibenzofuran-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzofuran;4-[5-[6-dibenzothiophen-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzothiophene has a molecular weight of 2106.54 g/mol, XLogP of 35.41, 33 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile;4-[5-[6-dibenzofuran-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzofuran;4-[5-[6-dibenzothiophen-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzothiophene is sourced from PubChem (CID 165088120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).