2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-methyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-methyl-6-pyridin-3-yl-1,3,5-triazine

C103H67N15OS4 — CID 162078668

About 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-methyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-methyl-6-pyridin-3-yl-1,3,5-triazine

2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-methyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-methyl-6-pyridin-3-yl-1,3,5-triazine (PubChem CID 162078668) has the molecular formula C103H67N15OS4 and a molecular weight of 1659.04 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-methyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-methyl-6-pyridin-3-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-methyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-methyl-6-pyridin-3-yl-1,3,5-triazine
• PubChem CID: 162078668
• Molecular Formula: C103H67N15OS4
• Molecular Weight: 1659.04 g/mol
• Exact Mass: 1657.45
• IUPAC Name: 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-methyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-methyl-6-pyridin-3-yl-1,3,5-triazine
• SMILES: Cc1nc(-c2ccc(-c3cccnc3)cc2)nc(-c2ccc3c(c2)sc2ccccc23)n1.Cc1nc(-c2ccc(-c3cccnc3)cc2)nc(-c2cccc3c2sc2ccccc23)n1.Cc1nc(-c2cccc3oc4ccccc4c23)nc(-c2cccc3sc4ccccc4c23)n1.Cc1nc(-c2cccnc2)nc(-c2cccc3sc4ccccc4c23)n1
• InChI: InChI=1S/C28H17N3OS.2C27H18N4S.C21H14N4S/c1-16-29-27(19-10-6-13-22-25(19)17-8-2-4-12-21(17)32-22)31-28(30-16)20-11-7-15-24-26(20)18-9-3-5-14-23(18)33-24;1-17-29-26(19-13-11-18(12-14-19)20-6-5-15-28-16-20)31-27(30-17)23-9-4-8-22-21-7-2-3-10-24(21)32-25(22)23;1-17-29-26(19-10-8-18(9-11-19)21-5-4-14-28-16-21)31-27(30-17)20-12-13-23-22-6-2-3-7-24(22)32-25(23)15-20;1-13-23-20(14-6-5-11-22-12-14)25-21(24-13)16-8-4-10-18-19(16)15-7-2-3-9-17(15)26-18/h2-15H,1H3;2*2-16H,1H3;2-12H,1H3
• InChIKey: ZCAVJJDBMPFHOZ-UHFFFAOYSA-N
• XLogP: 26.95
• TPSA: 206.49 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1659.04
LogP ≤ 5	26.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-methyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-methyl-6-pyridin-3-yl-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-methyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-methyl-6-pyridin-3-yl-1,3,5-triazine (CID 162078668) is 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-methyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-methyl-6-pyridin-3-yl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-methyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-methyl-6-pyridin-3-yl-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-methyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-methyl-6-pyridin-3-yl-1,3,5-triazine is Cc1nc(-c2ccc(-c3cccnc3)cc2)nc(-c2ccc3c(c2)sc2ccccc23)n1.Cc1nc(-c2ccc(-c3cccnc3)cc2)nc(-c2cccc3c2sc2ccccc23)n1.Cc1nc(-c2cccc3oc4ccccc4c23)nc(-c2cccc3sc4ccccc4c23)n1.Cc1nc(-c2cccnc2)nc(-c2cccc3sc4ccccc4c23)n1.

What is the InChIKey of 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-methyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-methyl-6-pyridin-3-yl-1,3,5-triazine?

The InChIKey is ZCAVJJDBMPFHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N3OS.2C27H18N4S.C21H14N4S/c1-16-29-27(19-10-6-13-22-25(19)17-8-2-4-12-21(17)32-22)31-28(30-16)20-11-7-15-24-26(20)18-9-3-5-14-23(18)33-24;1-17-29-26(19-13-11-18(12-14-19)20-6-5-15-28-16-20)31-27(30-17)23-9-4-8-22-21-7-2-3-10-24(21)32-25(22)23;1-17-29-26(19-10-8-18(9-11-19)21-5-4-14-28-16-21)31-27(30-17)20-12-13-23-22-6-2-3-7-24(22)32-25(23)15-20;1-13-23-20(14-6-5-11-22-12-14)25-21(24-13)16-8-4-10-18-19(16)15-7-2-3-9-17(15)26-18/h2-15H,1H3;2*2-16H,1H3;2-12H,1H3.

What are the key properties of 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-methyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-methyl-6-pyridin-3-yl-1,3,5-triazine?

2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-methyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-methyl-6-pyridin-3-yl-1,3,5-triazine has a molecular weight of 1659.04 g/mol, XLogP of 26.95, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-methyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-methyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-methyl-6-pyridin-3-yl-1,3,5-triazine is sourced from PubChem (CID 162078668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).