5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole

C59H32N4O3 — CID 167347585

About 5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole

5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole (PubChem CID 167347585) has the molecular formula C59H32N4O3 and a molecular weight of 844.93 g/mol. Its IUPAC name is 5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
• PubChem CID: 167347585
• Molecular Formula: C59H32N4O3
• Molecular Weight: 844.93 g/mol
• Exact Mass: 844.25
• IUPAC Name: 5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
• SMILES: c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc2c(cc1-c1nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n1)oc1c3ccccc3ccc21
• InChI: InChI=1S/C59H32N4O3/c1-2-13-35-30-49-43(27-34(35)12-1)39-15-5-8-18-48(39)63(49)50-31-46-42-24-21-33-11-3-4-14-38(33)56(42)66-55(46)32-47(50)59-61-57(36-22-25-53-44(28-36)40-16-6-9-19-51(40)64-53)60-58(62-59)37-23-26-54-45(29-37)41-17-7-10-20-52(41)65-54/h1-32H
• InChIKey: BRHKDLWZBWJQDU-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 83.02 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.93
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole?

The IUPAC name of 5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole (CID 167347585) is 5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole.

What is the SMILES notation for 5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole?

The canonical SMILES for 5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc2c(cc1-c1nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n1)oc1c3ccccc3ccc21.

What is the InChIKey of 5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole?

The InChIKey is BRHKDLWZBWJQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H32N4O3/c1-2-13-35-30-49-43(27-34(35)12-1)39-15-5-8-18-48(39)63(49)50-31-46-42-24-21-33-11-3-4-14-38(33)56(42)66-55(46)32-47(50)59-61-57(36-22-25-53-44(28-36)40-16-6-9-19-51(40)64-53)60-58(62-59)37-23-26-54-45(29-37)41-17-7-10-20-52(41)65-54/h1-32H.

What are the key properties of 5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole?

5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole has a molecular weight of 844.93 g/mol, XLogP of 15.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole is sourced from PubChem (CID 167347585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).