9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole

C51H32N4O — CID 172516347

About 9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole

9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (PubChem CID 172516347) has the molecular formula C51H32N4O and a molecular weight of 721.87 g/mol. Its IUPAC name is 9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
• PubChem CID: 172516347
• Molecular Formula: C51H32N4O
• Molecular Weight: 721.87 g/mol
• Exact Mass: 721.29
• IUPAC Name: 9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc2-n2c3ccccc3c3ccccc32)c([2H])c1[2H]
• InChI: InChI=1S/C51H32N4O/c1-4-15-33(16-5-1)38-29-27-37(32-45(38)55-43-24-12-10-21-39(43)40-22-11-13-25-44(40)55)36-28-30-46-42(31-36)48-41(23-14-26-47(48)56-46)51-53-49(34-17-6-2-7-18-34)52-50(54-51)35-19-8-3-9-20-35/h1-32H/i1D,4D,5D,15D,16D
• InChIKey: RVVLMIAPFBOXFD-KTZHZIRUSA-N
• XLogP: 13.20
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.87
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?

The IUPAC name of 9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (CID 172516347) is 9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.

What is the SMILES notation for 9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?

The canonical SMILES for 9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc2-n2c3ccccc3c3ccccc32)c([2H])c1[2H].

What is the InChIKey of 9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?

The InChIKey is RVVLMIAPFBOXFD-KTZHZIRUSA-N. The full InChI is InChI=1S/C51H32N4O/c1-4-15-33(16-5-1)38-29-27-37(32-45(38)55-43-24-12-10-21-39(43)40-22-11-13-25-44(40)55)36-28-30-46-42(31-36)48-41(23-14-26-47(48)56-46)51-53-49(34-17-6-2-7-18-34)52-50(54-51)35-19-8-3-9-20-35/h1-32H/i1D,4D,5D,15D,16D.

What are the key properties of 9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?

9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole has a molecular weight of 721.87 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is sourced from PubChem (CID 172516347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).