2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine

C135H75N9O4S5 — CID 159808130

About 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine (PubChem CID 159808130) has the molecular formula C135H75N9O4S5 and a molecular weight of 2047.48 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
• PubChem CID: 159808130
• Molecular Formula: C135H75N9O4S5
• Molecular Weight: 2047.48 g/mol
• Exact Mass: 2045.45
• IUPAC Name: 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5cccc6c5sc5ccccc56)c34)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5cccc6c5sc5ccccc56)c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3c(-c5cccc6c5oc5ccccc56)cccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc1
• InChI: InChI=1S/C45H25N3O2S.2C45H25N3OS2/c1-2-11-26(12-3-1)43-46-44(48-45(47-43)36-20-9-16-32-29-14-5-7-22-38(29)50-41(32)36)27-23-24-30-34-18-10-19-35(42(34)51-39(30)25-27)33-17-8-15-31-28-13-4-6-21-37(28)49-40(31)33;1-2-10-26(11-3-1)43-46-44(27-21-23-40-35(24-27)30-13-5-6-18-38(30)50-40)48-45(47-43)28-20-22-34-37(25-28)49-36-17-9-14-31(41(34)36)33-16-8-15-32-29-12-4-7-19-39(29)51-42(32)33;1-2-11-26(12-3-1)43-46-44(48-45(47-43)34-18-10-22-39-41(34)33-14-5-7-21-38(33)50-39)27-23-24-32-36(25-27)49-35-19-9-15-29(40(32)35)31-17-8-16-30-28-13-4-6-20-37(28)51-42(30)31/h3*1-25H
• InChIKey: NKQWZLYZXKBZMO-UHFFFAOYSA-N
• XLogP: 39.06
• TPSA: 168.57 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2047.48
LogP ≤ 5	39.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine (CID 159808130) is 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5cccc6c5sc5ccccc56)c34)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5cccc6c5sc5ccccc56)c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3c(-c5cccc6c5oc5ccccc56)cccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc1.

What is the InChIKey of 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?

The InChIKey is NKQWZLYZXKBZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N3O2S.2C45H25N3OS2/c1-2-11-26(12-3-1)43-46-44(48-45(47-43)36-20-9-16-32-29-14-5-7-22-38(29)50-41(32)36)27-23-24-30-34-18-10-19-35(42(34)51-39(30)25-27)33-17-8-15-31-28-13-4-6-21-37(28)49-40(31)33;1-2-10-26(11-3-1)43-46-44(27-21-23-40-35(24-27)30-13-5-6-18-38(30)50-40)48-45(47-43)28-20-22-34-37(25-28)49-36-17-9-14-31(41(34)36)33-16-8-15-32-29-12-4-7-19-39(29)51-42(32)33;1-2-11-26(12-3-1)43-46-44(48-45(47-43)34-18-10-22-39-41(34)33-14-5-7-21-38(33)50-39)27-23-24-32-36(25-27)49-35-19-9-15-29(40(32)35)31-17-8-16-30-28-13-4-6-20-37(28)51-42(30)31/h3*1-25H.

What are the key properties of 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?

2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 2047.48 g/mol, XLogP of 39.06, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 159808130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).