2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine

C153H88N18O3S3 — CID 161346822

About 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine

2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 161346822) has the molecular formula C153H88N18O3S3 and a molecular weight of 2322.71 g/mol. Its IUPAC name is 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 161346822
• Molecular Formula: C153H88N18O3S3
• Molecular Weight: 2322.71 g/mol
• Exact Mass: 2320.64
• IUPAC Name: 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine
• SMILES: c1ccc(-c2nc(-c3ccc4sc5cccc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)c5c4c3)nc(-n3c4ccccc4c4c(-c5ccccc5)cccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)ccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C55H32N6OS.2C49H28N6OS/c1-4-16-33(17-5-1)37-24-14-27-43-47(37)38-22-10-12-26-42(38)61(43)55-59-52(35-20-8-3-9-21-35)58-53(60-55)36-30-31-45-41(32-36)48-40(25-15-29-46(48)63-45)54-56-49(34-18-6-2-7-19-34)51-50(57-54)39-23-11-13-28-44(39)62-51;1-3-15-29(16-4-1)42-45-43(33-21-9-12-28-40(33)57-45)51-47(50-42)35-23-14-27-39-41(35)34-22-13-24-36(44(34)56-39)48-52-46(30-17-5-2-6-18-30)53-49(54-48)55-37-25-10-7-19-31(37)32-20-8-11-26-38(32)55;1-3-14-29(15-4-1)42-45-43(36-20-9-12-25-41(36)57-45)51-47(50-42)31-26-27-34-35-21-13-22-37(44(35)56-40(34)28-31)48-52-46(30-16-5-2-6-17-30)53-49(54-48)55-38-23-10-7-18-32(38)33-19-8-11-24-39(33)55/h1-32H;2*1-28H
• InChIKey: VNKILNHGXFYICB-UHFFFAOYSA-N
• XLogP: 39.75
• TPSA: 247.56 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2322.71
LogP ≤ 5	39.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 161346822) is 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccc4sc5cccc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)c5c4c3)nc(-n3c4ccccc4c4c(-c5ccccc5)cccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)ccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.

What is the InChIKey of 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is VNKILNHGXFYICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N6OS.2C49H28N6OS/c1-4-16-33(17-5-1)37-24-14-27-43-47(37)38-22-10-12-26-42(38)61(43)55-59-52(35-20-8-3-9-21-35)58-53(60-55)36-30-31-45-41(32-36)48-40(25-15-29-46(48)63-45)54-56-49(34-18-6-2-7-19-34)51-50(57-54)39-23-11-13-28-44(39)62-51;1-3-15-29(16-4-1)42-45-43(33-21-9-12-28-40(33)57-45)51-47(50-42)35-23-14-27-39-41(35)34-22-13-24-36(44(34)56-39)48-52-46(30-17-5-2-6-18-30)53-49(54-48)55-37-25-10-7-19-31(37)32-20-8-11-26-38(32)55;1-3-14-29(15-4-1)42-45-43(36-20-9-12-25-41(36)57-45)51-47(50-42)31-26-27-34-35-21-13-22-37(44(35)56-40(34)28-31)48-52-46(30-16-5-2-6-17-30)53-49(54-48)55-38-23-10-7-18-32(38)33-19-8-11-24-39(33)55/h1-32H;2*1-28H.

What are the key properties of 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine?

2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 2322.71 g/mol, XLogP of 39.75, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 161346822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).