4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine

C196H112N20O5S5 — CID 157410636

About 4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine

4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 157410636) has the molecular formula C196H112N20O5S5 and a molecular weight of 2987.52 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
• PubChem CID: 157410636
• Molecular Formula: C196H112N20O5S5
• Molecular Weight: 2987.52 g/mol
• Exact Mass: 2984.77
• IUPAC Name: 4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cccc(-c7nc(-c8ccccc8)c8sc9ccccc9c8n7)c6c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cccc(-c7nc(-c8ccccc8)c8sc9ccccc9c8n7)c6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cccc(-c6nc(-c7ccc8c(c7)sc7ccccc78)c7sc8ccccc8c7n6)c5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cccc(-c6nc(-c7cccc8c7oc7ccccc78)c7sc8ccccc8c7n6)c5c34)n2)cc1
• InChI: InChI=1S/C49H27N5O2S.C49H27N5OS2.2C49H29N5OS/c1-3-14-28(15-4-1)46-52-47(29-16-5-2-6-17-29)54-49(53-46)34-22-13-26-38-41(34)40-33(21-12-25-37(40)55-38)48-50-42-32-19-8-10-27-39(32)57-45(42)43(51-48)35-23-11-20-31-30-18-7-9-24-36(30)56-44(31)35;1-3-13-28(14-4-1)46-52-47(29-15-5-2-6-16-29)54-49(53-46)35-20-12-22-37-42(35)41-34(19-11-21-36(41)55-37)48-50-43(45-44(51-48)33-18-8-10-24-39(33)57-45)30-25-26-32-31-17-7-9-23-38(31)56-40(32)27-30;1-4-15-30(16-5-1)33-21-12-22-34(29-33)47-52-46(32-19-8-3-9-20-32)53-49(54-47)37-25-14-27-39-42(37)41-36(24-13-26-38(41)55-39)48-50-43(31-17-6-2-7-18-31)45-44(51-48)35-23-10-11-28-40(35)56-45;1-4-14-30(15-5-1)31-26-28-34(29-27-31)47-52-46(33-18-8-3-9-19-33)53-49(54-47)37-22-13-24-39-42(37)41-36(21-12-23-38(41)55-39)48-50-43(32-16-6-2-7-17-32)45-44(51-48)35-20-10-11-25-40(35)56-45/h2*1-27H;2*1-29H
• InChIKey: BOGAGOVMPXVLJE-UHFFFAOYSA-N
• XLogP: 52.66
• TPSA: 323.50 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2987.52
LogP ≤ 5	52.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine?

The IUPAC name of 4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine (CID 157410636) is 4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine.

What is the SMILES notation for 4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine?

The canonical SMILES for 4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cccc(-c7nc(-c8ccccc8)c8sc9ccccc9c8n7)c6c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cccc(-c7nc(-c8ccccc8)c8sc9ccccc9c8n7)c6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cccc(-c6nc(-c7ccc8c(c7)sc7ccccc78)c7sc8ccccc8c7n6)c5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cccc(-c6nc(-c7cccc8c7oc7ccccc78)c7sc8ccccc8c7n6)c5c34)n2)cc1.

What is the InChIKey of 4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine?

The InChIKey is BOGAGOVMPXVLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H27N5O2S.C49H27N5OS2.2C49H29N5OS/c1-3-14-28(15-4-1)46-52-47(29-16-5-2-6-17-29)54-49(53-46)34-22-13-26-38-41(34)40-33(21-12-25-37(40)55-38)48-50-42-32-19-8-10-27-39(32)57-45(42)43(51-48)35-23-11-20-31-30-18-7-9-24-36(30)56-44(31)35;1-3-13-28(14-4-1)46-52-47(29-15-5-2-6-16-29)54-49(53-46)35-20-12-22-37-42(35)41-34(19-11-21-36(41)55-37)48-50-43(45-44(51-48)33-18-8-10-24-39(33)57-45)30-25-26-32-31-17-7-9-23-38(31)56-40(32)27-30;1-4-15-30(16-5-1)33-21-12-22-34(29-33)47-52-46(32-19-8-3-9-20-32)53-49(54-47)37-25-14-27-39-42(37)41-36(24-13-26-38(41)55-39)48-50-43(31-17-6-2-7-18-31)45-44(51-48)35-23-10-11-28-40(35)56-45;1-4-14-30(15-5-1)31-26-28-34(29-27-31)47-52-46(33-18-8-3-9-19-33)53-49(54-47)37-22-13-24-39-42(37)41-36(21-12-23-38(41)55-39)48-50-43(32-16-6-2-7-17-32)45-44(51-48)35-20-10-11-25-40(35)56-45/h2*1-27H;2*1-29H.

What are the key properties of 4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine?

4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2987.52 g/mol, XLogP of 52.66, 22 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 157410636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).