1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole

C39H24N4O — CID 169059490

About 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole

1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (PubChem CID 169059490) has the molecular formula C39H24N4O and a molecular weight of 576.72 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
• PubChem CID: 169059490
• Molecular Formula: C39H24N4O
• Molecular Weight: 576.72 g/mol
• Exact Mass: 576.27
• IUPAC Name: 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
• SMILES: [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc2c1oc1ccc(-c3nc(-c4ccccc4)nc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])n3)cc12
• InChI: InChI=1S/C39H24N4O/c1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)27-22-23-35-31(24-27)30-18-11-21-34(36(30)44-35)43-32-19-9-7-16-28(32)29-17-8-10-20-33(29)43/h1-24H/i1D,3D,4D,7D,8D,9D,12D,13D,16D,17D,19D,20D
• InChIKey: UIZJUWIUKLKURQ-BOQKBNIPSA-N
• XLogP: 9.87
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.72
LogP ≤ 5	9.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?

The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (CID 169059490) is 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.

What is the SMILES notation for 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?

The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc2c1oc1ccc(-c3nc(-c4ccccc4)nc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])n3)cc12.

What is the InChIKey of 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?

The InChIKey is UIZJUWIUKLKURQ-BOQKBNIPSA-N. The full InChI is InChI=1S/C39H24N4O/c1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)27-22-23-35-31(24-27)30-18-11-21-34(36(30)44-35)43-32-19-9-7-16-28(32)29-17-8-10-20-33(29)43/h1-24H/i1D,3D,4D,7D,8D,9D,12D,13D,16D,17D,19D,20D.

What are the key properties of 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?

1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 576.72 g/mol, XLogP of 9.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 169059490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).