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

C153H86N16S8 — CID 159692659

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

4-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 159692659) has the molecular formula C153H86N16S8 and a molecular weight of 2405.02 g/mol. Its IUPAC name is 4-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 4-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzothiolo[3,2-d]pyrimidine
• PubChem CID: 159692659
• Molecular Formula: C153H86N16S8
• Molecular Weight: 2405.02 g/mol
• Exact Mass: 2402.50
• IUPAC Name: 4-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzothiolo[3,2-d]pyrimidine
• SMILES: c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cccc4sc5c(-c6nc(-c7ccccc7)nc7c6sc6ccccc67)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4sc5c(-c6nc(-c7ccccc7)nc7c6sc6ccccc67)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4sc5c(-c6nc(-c7ccccc7)nc7c6sc6ccccc67)cccc5c34)n2)cc1
• InChI: InChI=1S/C55H32N6S2.2C49H27N5S3/c1-4-16-33(17-5-1)52-56-48-39-23-11-13-28-45(39)62-51(48)49(57-52)42-26-14-24-40-47-41(25-15-29-46(47)63-50(40)42)55-59-53(34-18-6-2-7-19-34)58-54(60-55)35-30-31-38-37-22-10-12-27-43(37)61(44(38)32-35)36-20-8-3-9-21-36;1-3-14-28(15-4-1)46-50-42-31-19-8-10-25-37(31)56-45(42)43(51-46)35-23-11-20-32-41-34(22-13-27-39(41)57-44(32)35)49-53-47(29-16-5-2-6-17-29)52-48(54-49)33-21-12-26-38-40(33)30-18-7-9-24-36(30)55-38;1-3-13-28(14-4-1)46-50-42-32-18-8-10-23-38(32)56-45(42)43(51-46)35-21-11-19-33-41-34(20-12-24-40(41)57-44(33)35)49-53-47(29-15-5-2-6-16-29)52-48(54-49)30-25-26-39-36(27-30)31-17-7-9-22-37(31)55-39/h1-32H;2*1-27H
• InChIKey: MWPNHPOSVPMROV-UHFFFAOYSA-N
• XLogP: 43.03
• TPSA: 198.28 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2405.02
LogP ≤ 5	43.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 4-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzothiolo[3,2-d]pyrimidine (CID 159692659) is 4-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzothiolo[3,2-d]pyrimidine.

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

The canonical SMILES for 4-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cccc4sc5c(-c6nc(-c7ccccc7)nc7c6sc6ccccc67)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4sc5c(-c6nc(-c7ccccc7)nc7c6sc6ccccc67)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4sc5c(-c6nc(-c7ccccc7)nc7c6sc6ccccc67)cccc5c34)n2)cc1.

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

The InChIKey is MWPNHPOSVPMROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N6S2.2C49H27N5S3/c1-4-16-33(17-5-1)52-56-48-39-23-11-13-28-45(39)62-51(48)49(57-52)42-26-14-24-40-47-41(25-15-29-46(47)63-50(40)42)55-59-53(34-18-6-2-7-19-34)58-54(60-55)35-30-31-38-37-22-10-12-27-43(37)61(44(38)32-35)36-20-8-3-9-21-36;1-3-14-28(15-4-1)46-50-42-31-19-8-10-25-37(31)56-45(42)43(51-46)35-23-11-20-32-41-34(22-13-27-39(41)57-44(32)35)49-53-47(29-16-5-2-6-17-29)52-48(54-49)33-21-12-26-38-40(33)30-18-7-9-24-36(30)55-38;1-3-13-28(14-4-1)46-50-42-32-18-8-10-23-38(32)56-45(42)43(51-46)35-21-11-19-33-41-34(20-12-24-40(41)57-44(33)35)49-53-47(29-15-5-2-6-16-29)52-48(54-49)30-25-26-39-36(27-30)31-17-7-9-22-37(31)55-39/h1-32H;2*1-27H.

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

4-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2405.02 g/mol, XLogP of 43.03, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 159692659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).