2-[1,4-dideuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3-thiophen-2-yl-1-benzofuran;6-[2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-1-benzofuran-3-yl]quinoline;2-(10-naphthalen-1-ylanthracen-9-yl)-3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-benzofuran;5-[2-[1,2,3,4-tetradeuterio-10-(5,6,7,8-tetradeuterionaphthalen-2-yl)anthracen-9-yl]-1-benzofuran-3-yl]-1,10-phenanthroline

C171H105N3O4S — CID 164954039

About 2-[1,4-dideuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3-thiophen-2-yl-1-benzofuran;6-[2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-1-benzofuran-3-yl]quinoline;2-(10-naphthalen-1-ylanthracen-9-yl)-3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-benzofuran;5-[2-[1,2,3,4-tetradeuterio-10-(5,6,7,8-tetradeuterionaphthalen-2-yl)anthracen-9-yl]-1-benzofuran-3-yl]-1,10-phenanthroline

2-[1,4-dideuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3-thiophen-2-yl-1-benzofuran;6-[2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-1-benzofuran-3-yl]quinoline;2-(10-naphthalen-1-ylanthracen-9-yl)-3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-benzofuran;5-[2-[1,2,3,4-tetradeuterio-10-(5,6,7,8-tetradeuterionaphthalen-2-yl)anthracen-9-yl]-1-benzofuran-3-yl]-1,10-phenanthroline (PubChem CID 164954039) has the molecular formula C171H105N3O4S and a molecular weight of 2319.94 g/mol. Its IUPAC name is 2-[1,4-dideuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3-thiophen-2-yl-1-benzofuran;6-[2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-1-benzofuran-3-yl]quinoline;2-(10-naphthalen-1-ylanthracen-9-yl)-3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-benzofuran;5-[2-[1,2,3,4-tetradeuterio-10-(5,6,7,8-tetradeuterionaphthalen-2-yl)anthracen-9-yl]-1-benzofuran-3-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[1,4-dideuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3-thiophen-2-yl-1-benzofuran;6-[2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-1-benzofuran-3-yl]quinoline;2-(10-naphthalen-1-ylanthracen-9-yl)-3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-benzofuran;5-[2-[1,2,3,4-tetradeuterio-10-(5,6,7,8-tetradeuterionaphthalen-2-yl)anthracen-9-yl]-1-benzofuran-3-yl]-1,10-phenanthroline
• PubChem CID: 164954039
• Molecular Formula: C171H105N3O4S
• Molecular Weight: 2319.94 g/mol
• Exact Mass: 2317.92
• IUPAC Name: 2-[1,4-dideuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3-thiophen-2-yl-1-benzofuran;6-[2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-1-benzofuran-3-yl]quinoline;2-(10-naphthalen-1-ylanthracen-9-yl)-3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-benzofuran;5-[2-[1,2,3,4-tetradeuterio-10-(5,6,7,8-tetradeuterionaphthalen-2-yl)anthracen-9-yl]-1-benzofuran-3-yl]-1,10-phenanthroline
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)oc4ccccc34)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(-c3c4ccccc4c(-c4oc5ccccc5c4-c4ccc5ncccc5c4)c4ccccc34)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2cc(-c3c4ccccc4c(-c4oc5ccccc5c4-c4cc5cccnc5c5ncccc45)c4c([2H])c([2H])c([2H])c([2H])c34)ccc2c1[2H].[2H]c1ccc([2H])c2c(-c3oc4ccccc4c3-c3cccs3)c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c12
• InChI: InChI=1S/C44H26N2O.C44H28O.C42H26OS.C41H25NO/c1-2-12-28-25-29(22-21-27(28)11-1)39-31-14-3-5-16-33(31)40(34-17-6-4-15-32(34)39)44-41(36-18-7-8-20-38(36)47-44)37-26-30-13-9-23-45-42(30)43-35(37)19-10-24-46-43;1-2-14-29(15-3-1)31-18-12-19-32(28-31)41-39-25-10-11-27-40(39)45-44(41)43-37-23-8-6-21-35(37)42(36-22-7-9-24-38(36)43)34-26-13-17-30-16-4-5-20-33(30)34;1-2-16-30-27(12-1)13-10-22-31(30)28-14-9-15-29(26-28)39-32-17-3-5-19-34(32)40(35-20-6-4-18-33(35)39)42-41(38-24-11-25-44-38)36-21-7-8-23-37(36)43-42;1-2-14-29-26(11-1)12-9-20-30(29)39-31-15-3-5-17-33(31)40(34-18-6-4-16-32(34)39)41-38(35-19-7-8-21-37(35)43-41)28-22-23-36-27(25-28)13-10-24-42-36/h1-26H;1-28H;1-26H;1-25H/i1D,2D,3D,5D,11D,12D,14D,16D;1D,2D,3D,14D,15D;17D,19D;1D,2D,9D,11D,12D,14D,20D
• InChIKey: AXTVLORGLFCISL-QYRWYSPJSA-N
• XLogP: 48.61
• TPSA: 91.23 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2319.94
LogP ≤ 5	48.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1,4-dideuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3-thiophen-2-yl-1-benzofuran;6-[2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-1-benzofuran-3-yl]quinoline;2-(10-naphthalen-1-ylanthracen-9-yl)-3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-benzofuran;5-[2-[1,2,3,4-tetradeuterio-10-(5,6,7,8-tetradeuterionaphthalen-2-yl)anthracen-9-yl]-1-benzofuran-3-yl]-1,10-phenanthroline?

The IUPAC name of 2-[1,4-dideuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3-thiophen-2-yl-1-benzofuran;6-[2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-1-benzofuran-3-yl]quinoline;2-(10-naphthalen-1-ylanthracen-9-yl)-3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-benzofuran;5-[2-[1,2,3,4-tetradeuterio-10-(5,6,7,8-tetradeuterionaphthalen-2-yl)anthracen-9-yl]-1-benzofuran-3-yl]-1,10-phenanthroline (CID 164954039) is 2-[1,4-dideuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3-thiophen-2-yl-1-benzofuran;6-[2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-1-benzofuran-3-yl]quinoline;2-(10-naphthalen-1-ylanthracen-9-yl)-3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-benzofuran;5-[2-[1,2,3,4-tetradeuterio-10-(5,6,7,8-tetradeuterionaphthalen-2-yl)anthracen-9-yl]-1-benzofuran-3-yl]-1,10-phenanthroline.

What is the SMILES notation for 2-[1,4-dideuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3-thiophen-2-yl-1-benzofuran;6-[2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-1-benzofuran-3-yl]quinoline;2-(10-naphthalen-1-ylanthracen-9-yl)-3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-benzofuran;5-[2-[1,2,3,4-tetradeuterio-10-(5,6,7,8-tetradeuterionaphthalen-2-yl)anthracen-9-yl]-1-benzofuran-3-yl]-1,10-phenanthroline?

The canonical SMILES for 2-[1,4-dideuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3-thiophen-2-yl-1-benzofuran;6-[2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-1-benzofuran-3-yl]quinoline;2-(10-naphthalen-1-ylanthracen-9-yl)-3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-benzofuran;5-[2-[1,2,3,4-tetradeuterio-10-(5,6,7,8-tetradeuterionaphthalen-2-yl)anthracen-9-yl]-1-benzofuran-3-yl]-1,10-phenanthroline is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)oc4ccccc34)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(-c3c4ccccc4c(-c4oc5ccccc5c4-c4ccc5ncccc5c4)c4ccccc34)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2cc(-c3c4ccccc4c(-c4oc5ccccc5c4-c4cc5cccnc5c5ncccc45)c4c([2H])c([2H])c([2H])c([2H])c34)ccc2c1[2H].[2H]c1ccc([2H])c2c(-c3oc4ccccc4c3-c3cccs3)c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c12.

What is the InChIKey of 2-[1,4-dideuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3-thiophen-2-yl-1-benzofuran;6-[2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-1-benzofuran-3-yl]quinoline;2-(10-naphthalen-1-ylanthracen-9-yl)-3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-benzofuran;5-[2-[1,2,3,4-tetradeuterio-10-(5,6,7,8-tetradeuterionaphthalen-2-yl)anthracen-9-yl]-1-benzofuran-3-yl]-1,10-phenanthroline?

The InChIKey is AXTVLORGLFCISL-QYRWYSPJSA-N. The full InChI is InChI=1S/C44H26N2O.C44H28O.C42H26OS.C41H25NO/c1-2-12-28-25-29(22-21-27(28)11-1)39-31-14-3-5-16-33(31)40(34-17-6-4-15-32(34)39)44-41(36-18-7-8-20-38(36)47-44)37-26-30-13-9-23-45-42(30)43-35(37)19-10-24-46-43;1-2-14-29(15-3-1)31-18-12-19-32(28-31)41-39-25-10-11-27-40(39)45-44(41)43-37-23-8-6-21-35(37)42(36-22-7-9-24-38(36)43)34-26-13-17-30-16-4-5-20-33(30)34;1-2-16-30-27(12-1)13-10-22-31(30)28-14-9-15-29(26-28)39-32-17-3-5-19-34(32)40(35-20-6-4-18-33(35)39)42-41(38-24-11-25-44-38)36-21-7-8-23-37(36)43-42;1-2-14-29-26(11-1)12-9-20-30(29)39-31-15-3-5-17-33(31)40(34-18-6-4-16-32(34)39)41-38(35-19-7-8-21-37(35)43-41)28-22-23-36-27(25-28)13-10-24-42-36/h1-26H;1-28H;1-26H;1-25H/i1D,2D,3D,5D,11D,12D,14D,16D;1D,2D,3D,14D,15D;17D,19D;1D,2D,9D,11D,12D,14D,20D.

What are the key properties of 2-[1,4-dideuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3-thiophen-2-yl-1-benzofuran;6-[2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-1-benzofuran-3-yl]quinoline;2-(10-naphthalen-1-ylanthracen-9-yl)-3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-benzofuran;5-[2-[1,2,3,4-tetradeuterio-10-(5,6,7,8-tetradeuterionaphthalen-2-yl)anthracen-9-yl]-1-benzofuran-3-yl]-1,10-phenanthroline?

2-[1,4-dideuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3-thiophen-2-yl-1-benzofuran;6-[2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-1-benzofuran-3-yl]quinoline;2-(10-naphthalen-1-ylanthracen-9-yl)-3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-benzofuran;5-[2-[1,2,3,4-tetradeuterio-10-(5,6,7,8-tetradeuterionaphthalen-2-yl)anthracen-9-yl]-1-benzofuran-3-yl]-1,10-phenanthroline has a molecular weight of 2319.94 g/mol, XLogP of 48.61, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1,4-dideuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3-thiophen-2-yl-1-benzofuran;6-[2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-1-benzofuran-3-yl]quinoline;2-(10-naphthalen-1-ylanthracen-9-yl)-3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-benzofuran;5-[2-[1,2,3,4-tetradeuterio-10-(5,6,7,8-tetradeuterionaphthalen-2-yl)anthracen-9-yl]-1-benzofuran-3-yl]-1,10-phenanthroline is sourced from PubChem (CID 164954039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).