2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine

C147H81N15O3S6 — CID 159599079

About 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine

2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 159599079) has the molecular formula C147H81N15O3S6 and a molecular weight of 2297.77 g/mol. Its IUPAC name is 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
• PubChem CID: 159599079
• Molecular Formula: C147H81N15O3S6
• Molecular Weight: 2297.77 g/mol
• Exact Mass: 2295.50
• IUPAC Name: 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
• SMILES: c1ccc(-c2nc(-c3ccc4sc5c(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)cccc5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)ccc5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5cccc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)c5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
• InChI: InChI=1S/3C49H27N5OS2/c1-3-13-28(14-4-1)41-45-42(34-18-8-10-24-39(34)57-45)51-49(50-41)36-22-12-20-33-37-27-30(25-26-40(37)56-44(33)36)47-52-46(29-15-5-2-6-16-29)53-48(54-47)35-21-11-19-32-31-17-7-9-23-38(31)55-43(32)35;1-3-13-28(14-4-1)42-45-43(33-18-8-10-23-38(33)57-45)51-48(50-42)34-20-12-24-40-41(34)36-27-30(25-26-39(36)56-40)47-52-46(29-15-5-2-6-16-29)53-49(54-47)35-21-11-19-32-31-17-7-9-22-37(31)55-44(32)35;1-3-12-28(13-4-1)42-45-43(35-17-8-10-21-39(35)57-45)51-47(50-42)31-22-24-33-37-26-30(23-25-40(37)56-41(33)27-31)48-52-46(29-14-5-2-6-15-29)53-49(54-48)36-19-11-18-34-32-16-7-9-20-38(32)55-44(34)36/h3*1-27H
• InChIKey: MLFPWKDACBPEHQ-UHFFFAOYSA-N
• XLogP: 40.90
• TPSA: 232.77 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2297.77
LogP ≤ 5	40.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?

The IUPAC name of 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine (CID 159599079) is 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine.

What is the SMILES notation for 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?

The canonical SMILES for 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccc4sc5c(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)cccc5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)ccc5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5cccc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)c5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.

What is the InChIKey of 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?

The InChIKey is MLFPWKDACBPEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C49H27N5OS2/c1-3-13-28(14-4-1)41-45-42(34-18-8-10-24-39(34)57-45)51-49(50-41)36-22-12-20-33-37-27-30(25-26-40(37)56-44(33)36)47-52-46(29-15-5-2-6-16-29)53-48(54-47)35-21-11-19-32-31-17-7-9-23-38(31)55-43(32)35;1-3-13-28(14-4-1)42-45-43(33-18-8-10-23-38(33)57-45)51-48(50-42)34-20-12-24-40-41(34)36-27-30(25-26-39(36)56-40)47-52-46(29-15-5-2-6-16-29)53-49(54-47)35-21-11-19-32-31-17-7-9-22-37(31)55-44(32)35;1-3-12-28(13-4-1)42-45-43(35-17-8-10-21-39(35)57-45)51-47(50-42)31-22-24-33-37-26-30(23-25-40(37)56-41(33)27-31)48-52-46(29-14-5-2-6-15-29)53-49(54-48)36-19-11-18-34-32-16-7-9-20-38(32)55-44(34)36/h3*1-27H.

What are the key properties of 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?

2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2297.77 g/mol, XLogP of 40.90, 15 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 159599079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).