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

C45H26N4O2 — CID 160655229

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

9-[6-[4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole (PubChem CID 160655229) has the molecular formula C45H26N4O2 and a molecular weight of 659.76 g/mol. Its IUPAC name is 9-[6-[4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole.

Molecular Properties

• Compound Name: 9-[6-[4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
• PubChem CID: 160655229
• Molecular Formula: C45H26N4O2
• Molecular Weight: 659.76 g/mol
• Exact Mass: 659.24
• IUPAC Name: 9-[6-[4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4c3oc3cc(-n5c6ccccc6c6ccccc65)ccc34)n2)c([2H])c1[2H]
• InChI: InChI=1S/C45H26N4O2/c1-2-11-27(12-3-1)43-46-44(28-21-24-40-36(25-28)32-15-6-9-20-39(32)50-40)48-45(47-43)35-17-10-16-34-33-23-22-29(26-41(33)51-42(34)35)49-37-18-7-4-13-30(37)31-14-5-8-19-38(31)49/h1-26H/i1D,2D,3D,11D,12D
• InChIKey: DQCOQQAKULIKCD-QJJXXHCMSA-N
• XLogP: 11.77
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.76
LogP ≤ 5	11.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[6-[4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole (CID 160655229) is 9-[6-[4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole.

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

The canonical SMILES for 9-[6-[4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4c3oc3cc(-n5c6ccccc6c6ccccc65)ccc34)n2)c([2H])c1[2H].

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

The InChIKey is DQCOQQAKULIKCD-QJJXXHCMSA-N. The full InChI is InChI=1S/C45H26N4O2/c1-2-11-27(12-3-1)43-46-44(28-21-24-40-36(25-28)32-15-6-9-20-39(32)50-40)48-45(47-43)35-17-10-16-34-33-23-22-29(26-41(33)51-42(34)35)49-37-18-7-4-13-30(37)31-14-5-8-19-38(31)49/h1-26H/i1D,2D,3D,11D,12D.

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

9-[6-[4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole has a molecular weight of 659.76 g/mol, XLogP of 11.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-[4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 160655229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).