12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole;9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole;9-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole

C180H108N16O6 — CID 167617034

About 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole;9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole;9-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole

12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole;9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole;9-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole (PubChem CID 167617034) has the molecular formula C180H108N16O6 and a molecular weight of 2626.16 g/mol. Its IUPAC name is 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole;9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole;9-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole.

Molecular Properties

• Compound Name: 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole;9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole;9-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole
• PubChem CID: 167617034
• Molecular Formula: C180H108N16O6
• Molecular Weight: 2626.16 g/mol
• Exact Mass: 2624.08
• IUPAC Name: 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole;9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole;9-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3c(-c5ccccc5)ccc(-n5c6ccccc6c6ccccc65)c34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3cccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)c34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3cccc(-n5c6ccccc6c6ccc7oc8ccccc8c7c65)c34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccccc5)ccc(-n5c6ccccc6c6ccccc65)c34)n2)c([2H])c1[2H]
• InChI: InChI=1S/2C45H26N4O2.2C45H28N4O/c1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-33-39(26-29)51-37-21-11-19-35(40(33)37)49-34-18-9-7-16-30(34)31-24-25-38-41(42(31)49)32-17-8-10-20-36(32)50-38;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-34-39(26-29)50-38-21-11-19-36(40(34)38)49-35-18-9-7-16-30(35)32-24-25-33-31-17-8-10-20-37(31)51-42(33)41(32)49;2*1-4-14-29(15-5-1)33-26-27-39(49-37-22-12-10-20-34(37)35-21-11-13-23-38(35)49)41-36-25-24-32(28-40(36)50-42(33)41)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31/h2*1-26H;2*1-28H/i2*1D,2D,3D,4D,5D,6D,12D,13D,14D,15D;2D,3D,6D,7D,8D,9D,16D,17D,18D,19D;2D,6D,7D,16D,17D
• InChIKey: LWUXPCLGAZUUBQ-WIJHHMPSSA-N
• XLogP: 46.61
• TPSA: 253.24 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2626.16
LogP ≤ 5	46.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole;9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole;9-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole?

The IUPAC name of 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole;9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole;9-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole (CID 167617034) is 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole;9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole;9-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole.

What is the SMILES notation for 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole;9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole;9-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole?

The canonical SMILES for 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole;9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole;9-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3c(-c5ccccc5)ccc(-n5c6ccccc6c6ccccc65)c34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3cccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)c34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3cccc(-n5c6ccccc6c6ccc7oc8ccccc8c7c65)c34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccccc5)ccc(-n5c6ccccc6c6ccccc65)c34)n2)c([2H])c1[2H].

What is the InChIKey of 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole;9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole;9-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole?

The InChIKey is LWUXPCLGAZUUBQ-WIJHHMPSSA-N. The full InChI is InChI=1S/2C45H26N4O2.2C45H28N4O/c1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-33-39(26-29)51-37-21-11-19-35(40(33)37)49-34-18-9-7-16-30(34)31-24-25-38-41(42(31)49)32-17-8-10-20-36(32)50-38;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-34-39(26-29)50-38-21-11-19-36(40(34)38)49-35-18-9-7-16-30(35)32-24-25-33-31-17-8-10-20-37(31)51-42(33)41(32)49;2*1-4-14-29(15-5-1)33-26-27-39(49-37-22-12-10-20-34(37)35-21-11-13-23-38(35)49)41-36-25-24-32(28-40(36)50-42(33)41)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31/h2*1-26H;2*1-28H/i2*1D,2D,3D,4D,5D,6D,12D,13D,14D,15D;2D,3D,6D,7D,8D,9D,16D,17D,18D,19D;2D,6D,7D,16D,17D.

What are the key properties of 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole;9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole;9-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole?

12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole;9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole;9-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole has a molecular weight of 2626.16 g/mol, XLogP of 46.61, 18 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole;9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole;9-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-1-yl]carbazole is sourced from PubChem (CID 167617034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).