2-[4-naphtho[2,3-b][1]benzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole

C129H78N12O3 — CID 163771733

About 2-[4-naphtho[2,3-b][1]benzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole

2-[4-naphtho[2,3-b][1]benzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 163771733) has the molecular formula C129H78N12O3 and a molecular weight of 1859.22 g/mol. Its IUPAC name is 2-[4-naphtho[2,3-b][1]benzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[4-naphtho[2,3-b][1]benzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
• PubChem CID: 163771733
• Molecular Formula: C129H78N12O3
• Molecular Weight: 1859.22 g/mol
• Exact Mass: 1857.73
• IUPAC Name: 2-[4-naphtho[2,3-b][1]benzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3cc5ccccc5cc34)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cccc4oc5cc6ccccc6cc5c34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)c([2H])c1[2H]
• InChI: InChI=1S/3C43H26N4O/c1-3-12-27(13-4-1)41-44-42(30-22-23-33-32-18-9-10-20-36(32)47(37(33)25-30)31-16-5-2-6-17-31)46-43(45-41)34-19-11-21-38-40(34)35-24-28-14-7-8-15-29(28)26-39(35)48-38;1-3-11-27(12-4-1)41-44-42(30-20-22-39-35(24-30)36-23-28-13-7-8-14-29(28)26-40(36)48-39)46-43(45-41)31-19-21-34-33-17-9-10-18-37(33)47(38(34)25-31)32-15-5-2-6-16-32;1-3-11-27(12-4-1)41-44-42(30-19-21-34-33-17-9-10-18-37(33)47(38(34)24-30)32-15-5-2-6-16-32)46-43(45-41)31-20-22-35-36-23-28-13-7-8-14-29(28)25-40(36)48-39(35)26-31/h3*1-26H/i1D,3D,4D,12D,13D;2*1D,3D,4D,11D,12D
• InChIKey: MHAPSJZQBPNJEF-UPZHUPKCSA-N
• XLogP: 33.07
• TPSA: 170.22 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1859.22
LogP ≤ 5	33.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[4-naphtho[2,3-b][1]benzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?

The IUPAC name of 2-[4-naphtho[2,3-b][1]benzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 163771733) is 2-[4-naphtho[2,3-b][1]benzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 2-[4-naphtho[2,3-b][1]benzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?

The canonical SMILES for 2-[4-naphtho[2,3-b][1]benzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3cc5ccccc5cc34)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cccc4oc5cc6ccccc6cc5c34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)c([2H])c1[2H].

What is the InChIKey of 2-[4-naphtho[2,3-b][1]benzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?

The InChIKey is MHAPSJZQBPNJEF-UPZHUPKCSA-N. The full InChI is InChI=1S/3C43H26N4O/c1-3-12-27(13-4-1)41-44-42(30-22-23-33-32-18-9-10-20-36(32)47(37(33)25-30)31-16-5-2-6-17-31)46-43(45-41)34-19-11-21-38-40(34)35-24-28-14-7-8-15-29(28)26-39(35)48-38;1-3-11-27(12-4-1)41-44-42(30-20-22-39-35(24-30)36-23-28-13-7-8-14-29(28)26-40(36)48-39)46-43(45-41)31-19-21-34-33-17-9-10-18-37(33)47(38(34)25-31)32-15-5-2-6-16-32;1-3-11-27(12-4-1)41-44-42(30-19-21-34-33-17-9-10-18-37(33)47(38(34)24-30)32-15-5-2-6-16-32)46-43(45-41)31-20-22-35-36-23-28-13-7-8-14-29(28)25-40(36)48-39(35)26-31/h3*1-26H/i1D,3D,4D,12D,13D;2*1D,3D,4D,11D,12D.

What are the key properties of 2-[4-naphtho[2,3-b][1]benzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?

2-[4-naphtho[2,3-b][1]benzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 1859.22 g/mol, XLogP of 33.07, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-naphtho[2,3-b][1]benzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 163771733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).