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

C45H26N4O2 — CID 160655228

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

9-[6-[4-dibenzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole (PubChem CID 160655228) has the molecular formula C45H26N4O2 and a molecular weight of 659.76 g/mol. Its IUPAC name is 9-[6-[4-dibenzofuran-1-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-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
• PubChem CID: 160655228
• Molecular Formula: C45H26N4O2
• Molecular Weight: 659.76 g/mol
• Exact Mass: 659.24
• IUPAC Name: 9-[6-[4-dibenzofuran-1-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(-c3cccc4c3oc3cc(-n5c6ccccc6c6ccccc65)ccc34)nc(-c3cccc4oc5ccccc5c34)n2)c([2H])c1[2H]
• InChI: InChI=1S/C45H26N4O2/c1-2-12-27(13-3-1)43-46-44(34-18-11-23-39-41(34)33-16-6-9-22-38(33)50-39)48-45(47-43)35-19-10-17-32-31-25-24-28(26-40(31)51-42(32)35)49-36-20-7-4-14-29(36)30-15-5-8-21-37(30)49/h1-26H/i1D,2D,3D,12D,13D
• InChIKey: QKLJVLOWEJLNME-AYAICNHJSA-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-1-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-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole (CID 160655228) is 9-[6-[4-dibenzofuran-1-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-1-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-1-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(-c3cccc4c3oc3cc(-n5c6ccccc6c6ccccc65)ccc34)nc(-c3cccc4oc5ccccc5c34)n2)c([2H])c1[2H].

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

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

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

9-[6-[4-dibenzofuran-1-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-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 160655228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).