2-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]benzenethiol;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine

C220H130N24O4S4 — CID 161470853

About 2-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]benzenethiol;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine

2-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]benzenethiol;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 161470853) has the molecular formula C220H130N24O4S4 and a molecular weight of 3301.89 g/mol. Its IUPAC name is 2-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]benzenethiol;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]benzenethiol;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 161470853
• Molecular Formula: C220H130N24O4S4
• Molecular Weight: 3301.89 g/mol
• Exact Mass: 3298.96
• IUPAC Name: 2-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]benzenethiol;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine
• SMILES: Sc1c(-c2ccc(-c3nc(-c4ccccc4)c4oc5ccccc5c4n3)cc2)cccc1-c1nc(-c2ccccc2)nc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)n1.c1ccc(-c2nc(-c3ccc4c(c3)sc3c(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)cccc34)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3cccc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c34)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cccc4c3sc3cccc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c34)n2)cc1
• InChI: InChI=1S/3C55H32N6OS.C55H34N6OS/c1-4-16-33(17-5-1)48-50-49(39-23-11-13-28-45(39)62-50)57-54(56-48)41-25-15-29-46-47(41)40-24-14-26-42(51(40)63-46)55-59-52(34-18-6-2-7-19-34)58-53(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;1-4-15-33(16-5-1)48-50-49(42-22-11-13-26-46(42)62-50)57-55(56-48)43-24-14-23-41-40-30-28-36(32-47(40)63-51(41)43)54-59-52(34-17-6-2-7-18-34)58-53(60-54)35-27-29-39-38-21-10-12-25-44(38)61(45(39)31-35)37-19-8-3-9-20-37;1-4-15-33(16-5-1)49-51-50(40-22-11-13-25-45(40)62-51)57-55(56-49)42-23-14-26-46-48(42)41-30-28-36(32-47(41)63-46)54-59-52(34-17-6-2-7-18-34)58-53(60-54)35-27-29-39-38-21-10-12-24-43(38)61(44(39)31-35)37-19-8-3-9-20-37;63-51-40(34-27-29-37(30-28-34)52-56-48(35-15-4-1-5-16-35)50-49(57-52)43-22-11-13-26-47(43)62-50)23-14-24-44(51)55-59-53(36-17-6-2-7-18-36)58-54(60-55)38-31-32-42-41-21-10-12-25-45(41)61(46(42)33-38)39-19-8-3-9-20-39/h3*1-32H;1-33,63H
• InChIKey: WDBFKKHZZXGICQ-UHFFFAOYSA-N
• XLogP: 57.03
• TPSA: 330.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3301.89
LogP ≤ 5	57.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]benzenethiol;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 2-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]benzenethiol;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 161470853) is 2-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]benzenethiol;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 2-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]benzenethiol;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 2-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]benzenethiol;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine is Sc1c(-c2ccc(-c3nc(-c4ccccc4)c4oc5ccccc5c4n3)cc2)cccc1-c1nc(-c2ccccc2)nc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)n1.c1ccc(-c2nc(-c3ccc4c(c3)sc3c(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)cccc34)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3cccc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c34)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cccc4c3sc3cccc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c34)n2)cc1.

What is the InChIKey of 2-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]benzenethiol;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is WDBFKKHZZXGICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C55H32N6OS.C55H34N6OS/c1-4-16-33(17-5-1)48-50-49(39-23-11-13-28-45(39)62-50)57-54(56-48)41-25-15-29-46-47(41)40-24-14-26-42(51(40)63-46)55-59-52(34-18-6-2-7-19-34)58-53(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;1-4-15-33(16-5-1)48-50-49(42-22-11-13-26-46(42)62-50)57-55(56-48)43-24-14-23-41-40-30-28-36(32-47(40)63-51(41)43)54-59-52(34-17-6-2-7-18-34)58-53(60-54)35-27-29-39-38-21-10-12-25-44(38)61(45(39)31-35)37-19-8-3-9-20-37;1-4-15-33(16-5-1)49-51-50(40-22-11-13-25-45(40)62-51)57-55(56-49)42-23-14-26-46-48(42)41-30-28-36(32-47(41)63-46)54-59-52(34-17-6-2-7-18-34)58-53(60-54)35-27-29-39-38-21-10-12-24-43(38)61(44(39)31-35)37-19-8-3-9-20-37;63-51-40(34-27-29-37(30-28-34)52-56-48(35-15-4-1-5-16-35)50-49(57-52)43-22-11-13-26-47(43)62-50)23-14-24-44(51)55-59-53(36-17-6-2-7-18-36)58-54(60-55)38-31-32-42-41-21-10-12-25-45(41)61(46(42)33-38)39-19-8-3-9-20-39/h3*1-32H;1-33,63H.

What are the key properties of 2-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]benzenethiol;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine?

2-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]benzenethiol;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 3301.89 g/mol, XLogP of 57.03, 25 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]benzenethiol;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 161470853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).