2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(2-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,1-b][1]benzothiol-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine

C182H108N12O3S2 — CID 165001398

About 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(2-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,1-b][1]benzothiol-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine

2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(2-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,1-b][1]benzothiol-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 165001398) has the molecular formula C182H108N12O3S2 and a molecular weight of 2582.12 g/mol. Its IUPAC name is 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(2-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,1-b][1]benzothiol-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(2-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,1-b][1]benzothiol-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
• PubChem CID: 165001398
• Molecular Formula: C182H108N12O3S2
• Molecular Weight: 2582.12 g/mol
• Exact Mass: 2579.85
• IUPAC Name: 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(2-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,1-b][1]benzothiol-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
• SMILES: [2H]c1c([2H])c([2H])c2c(-c3nc(-c4ccccc4)nc(-c4c(-c5ccc6oc7ccc8ccccc8c7c6c5)ccc5ccccc45)n3)c([2H])c([2H])c([2H])c2c1[2H].c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-c4ccc5oc6ccc7ccccc7c6c5c4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c(-c5ccc6sc7ccc8ccccc8c7c6c5)cccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4sc5ccc(-c6ccc7oc8ccc9ccccc9c8c7c6)cc5c34)n2)cc1
• InChI: InChI=1S/C47H27N3OS.2C45H27N3O.C45H27N3S/c1-2-12-30(13-3-1)45-48-46(35-17-8-14-28-10-4-6-15-33(28)35)50-47(49-45)36-18-9-19-42-44(36)38-27-32(22-25-41(38)52-42)31-21-23-39-37(26-31)43-34-16-7-5-11-29(34)20-24-40(43)51-39;1-2-14-31(15-3-1)43-46-44(37-20-10-16-28-11-4-7-17-33(28)37)48-45(47-43)42-35-19-9-6-12-29(35)21-24-36(42)32-23-25-39-38(27-32)41-34-18-8-5-13-30(34)22-26-40(41)49-39;1-2-13-30(14-3-1)43-46-44(37-20-10-15-28-11-4-6-16-32(28)37)48-45(47-43)38-24-23-33(35-18-8-9-19-36(35)38)31-22-25-40-39(27-31)42-34-17-7-5-12-29(34)21-26-41(42)49-40;1-2-13-30(14-3-1)43-46-44(37-21-8-15-28-11-4-6-16-32(28)37)48-45(47-43)38-22-10-19-35-33(18-9-20-36(35)38)31-24-25-40-39(27-31)42-34-17-7-5-12-29(34)23-26-41(42)49-40/h1-27H;3*1-27H/i;4D,7D,10D,11D,16D,17D,20D
• InChIKey: IHNFWAWXXXOJLC-WCWGEQPPSA-N
• XLogP: 49.28
• TPSA: 194.10 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2582.12
LogP ≤ 5	49.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(2-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,1-b][1]benzothiol-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(2-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,1-b][1]benzothiol-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine (CID 165001398) is 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(2-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,1-b][1]benzothiol-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(2-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,1-b][1]benzothiol-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(2-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,1-b][1]benzothiol-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine is [2H]c1c([2H])c([2H])c2c(-c3nc(-c4ccccc4)nc(-c4c(-c5ccc6oc7ccc8ccccc8c7c6c5)ccc5ccccc45)n3)c([2H])c([2H])c([2H])c2c1[2H].c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-c4ccc5oc6ccc7ccccc7c6c5c4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c(-c5ccc6sc7ccc8ccccc8c7c6c5)cccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4sc5ccc(-c6ccc7oc8ccc9ccccc9c8c7c6)cc5c34)n2)cc1.

What is the InChIKey of 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(2-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,1-b][1]benzothiol-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?

The InChIKey is IHNFWAWXXXOJLC-WCWGEQPPSA-N. The full InChI is InChI=1S/C47H27N3OS.2C45H27N3O.C45H27N3S/c1-2-12-30(13-3-1)45-48-46(35-17-8-14-28-10-4-6-15-33(28)35)50-47(49-45)36-18-9-19-42-44(36)38-27-32(22-25-41(38)52-42)31-21-23-39-37(26-31)43-34-16-7-5-11-29(34)20-24-40(43)51-39;1-2-14-31(15-3-1)43-46-44(37-20-10-16-28-11-4-7-17-33(28)37)48-45(47-43)42-35-19-9-6-12-29(35)21-24-36(42)32-23-25-39-38(27-32)41-34-18-8-5-13-30(34)22-26-40(41)49-39;1-2-13-30(14-3-1)43-46-44(37-20-10-15-28-11-4-6-16-32(28)37)48-45(47-43)38-24-23-33(35-18-8-9-19-36(35)38)31-22-25-40-39(27-31)42-34-17-7-5-12-29(34)21-26-41(42)49-40;1-2-13-30(14-3-1)43-46-44(37-21-8-15-28-11-4-6-16-32(28)37)48-45(47-43)38-22-10-19-35-33(18-9-20-36(35)38)31-24-25-40-39(27-31)42-34-17-7-5-12-29(34)23-26-41(42)49-40/h1-27H;3*1-27H/i;4D,7D,10D,11D,16D,17D,20D;;.

What are the key properties of 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(2-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,1-b][1]benzothiol-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?

2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(2-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,1-b][1]benzothiol-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 2582.12 g/mol, XLogP of 49.28, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(2-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,1-b][1]benzothiol-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 165001398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).