2-dibenzofuran-3-yl-4-[3-dibenzothiophen-4-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-2-phenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine

C141H85N9O3S3 — CID 158298434

About 2-dibenzofuran-3-yl-4-[3-dibenzothiophen-4-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-2-phenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-[3-dibenzothiophen-4-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-2-phenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 158298434) has the molecular formula C141H85N9O3S3 and a molecular weight of 2059.55 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[3-dibenzothiophen-4-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-2-phenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-3-yl-4-[3-dibenzothiophen-4-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-2-phenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
• PubChem CID: 158298434
• Molecular Formula: C141H85N9O3S3
• Molecular Weight: 2059.55 g/mol
• Exact Mass: 2057.66
• IUPAC Name: 2-dibenzofuran-3-yl-4-[3-dibenzothiophen-4-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-2-phenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc(-c3cccc4c3sc3ccccc34)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3cc(-c4ccccc4)cc(-c4cccc5c4sc4ccccc45)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c([2H])c1[2H].c1ccc(-c2ccccc2-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3-c3ccccc3)n2)cc1
• InChI: InChI=1S/C51H31N3OS.2C45H27N3OS/c1-3-15-32(16-4-1)35-19-7-8-22-42(35)50-52-49(34-29-30-37-36-20-9-11-27-44(36)55-45(37)31-34)53-51(54-50)43-26-13-23-39(47(43)33-17-5-2-6-18-33)41-25-14-24-40-38-21-10-12-28-46(38)56-48(40)41;2*1-3-12-28(13-4-1)31-24-32(34-18-11-19-38-37-17-8-10-21-41(37)50-42(34)38)26-33(25-31)45-47-43(29-14-5-2-6-15-29)46-44(48-45)30-22-23-36-35-16-7-9-20-39(35)49-40(36)27-30/h1-31H;2*1-27H/i;2D,5D,6D,14D,15D;1D,3D,4D,12D,13D
• InChIKey: GMEWICCGYZLUKS-POBSCOBUSA-N
• XLogP: 39.09
• TPSA: 155.43 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2059.55
LogP ≤ 5	39.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[3-dibenzothiophen-4-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-2-phenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-3-yl-4-[3-dibenzothiophen-4-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-2-phenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine (CID 158298434) is 2-dibenzofuran-3-yl-4-[3-dibenzothiophen-4-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-2-phenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-3-yl-4-[3-dibenzothiophen-4-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-2-phenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-3-yl-4-[3-dibenzothiophen-4-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-2-phenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc(-c3cccc4c3sc3ccccc34)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3cc(-c4ccccc4)cc(-c4cccc5c4sc4ccccc45)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c([2H])c1[2H].c1ccc(-c2ccccc2-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3-c3ccccc3)n2)cc1.

What is the InChIKey of 2-dibenzofuran-3-yl-4-[3-dibenzothiophen-4-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-2-phenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine?

The InChIKey is GMEWICCGYZLUKS-POBSCOBUSA-N. The full InChI is InChI=1S/C51H31N3OS.2C45H27N3OS/c1-3-15-32(16-4-1)35-19-7-8-22-42(35)50-52-49(34-29-30-37-36-20-9-11-27-44(36)55-45(37)31-34)53-51(54-50)43-26-13-23-39(47(43)33-17-5-2-6-18-33)41-25-14-24-40-38-21-10-12-28-46(38)56-48(40)41;2*1-3-12-28(13-4-1)31-24-32(34-18-11-19-38-37-17-8-10-21-41(37)50-42(34)38)26-33(25-31)45-47-43(29-14-5-2-6-15-29)46-44(48-45)30-22-23-36-35-16-7-9-20-39(35)49-40(36)27-30/h1-31H;2*1-27H/i;2D,5D,6D,14D,15D;1D,3D,4D,12D,13D.

What are the key properties of 2-dibenzofuran-3-yl-4-[3-dibenzothiophen-4-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-2-phenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine?

2-dibenzofuran-3-yl-4-[3-dibenzothiophen-4-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-2-phenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 2059.55 g/mol, XLogP of 39.09, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-3-yl-4-[3-dibenzothiophen-4-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-2-phenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 158298434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).