2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine

C290H175N15S5 — CID 161322655

About 2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine

2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine (PubChem CID 161322655) has the molecular formula C290H175N15S5 and a molecular weight of 4030.03 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
• PubChem CID: 161322655
• Molecular Formula: C290H175N15S5
• Molecular Weight: 4030.03 g/mol
• Exact Mass: 4026.28
• IUPAC Name: 2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)nc(-c3ccccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3ccccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc(-c3ccccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)nc(-c3ccccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
• InChI: InChI=1S/5C58H35N3S/c1-2-14-37(15-3-1)55-59-56(61-57(60-55)41-17-12-16-40(34-41)42-22-13-23-48-47-21-7-11-27-53(47)62-54(42)48)38-30-28-36(29-31-38)39-32-33-46-45-20-6-10-26-51(45)58(52(46)35-39)49-24-8-4-18-43(49)44-19-5-9-25-50(44)58;1-2-15-37(16-3-1)55-59-56(38-31-29-36(30-32-38)41-23-14-24-46-45-21-9-13-28-53(45)62-54(41)46)61-57(60-55)47-22-5-4-17-40(47)39-33-34-52-48(35-39)44-20-8-12-27-51(44)58(52)49-25-10-6-18-42(49)43-19-7-11-26-50(43)58;1-2-15-37(16-3-1)55-59-56(38-31-29-36(30-32-38)41-23-14-28-53-54(41)46-22-9-13-27-52(46)62-53)61-57(60-55)45-21-5-4-17-40(45)39-33-34-51-47(35-39)44-20-8-12-26-50(44)58(51)48-24-10-6-18-42(48)43-19-7-11-25-49(43)58;1-2-14-37(15-3-1)55-59-56(38-28-26-36(27-29-38)39-31-33-54-48(34-39)45-20-9-13-25-53(45)62-54)61-57(60-55)46-21-5-4-16-41(46)40-30-32-52-47(35-40)44-19-8-12-24-51(44)58(52)49-22-10-6-17-42(49)43-18-7-11-23-50(43)58;1-2-14-37(15-3-1)55-59-56(38-28-26-36(27-29-38)39-30-32-46-45-20-9-13-25-53(45)62-54(46)35-39)61-57(60-55)47-21-5-4-16-41(47)40-31-33-52-48(34-40)44-19-8-12-24-51(44)58(52)49-22-10-6-17-42(49)43-18-7-11-23-50(43)58/h5*1-35H
• InChIKey: VKIRYVBAFMKQDG-UHFFFAOYSA-N
• XLogP: 74.59
• TPSA: 193.35 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 310
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4030.03
LogP ≤ 5	74.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine (CID 161322655) is 2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)nc(-c3ccccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3ccccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc(-c3ccccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)nc(-c3ccccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.

What is the InChIKey of 2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine?

The InChIKey is VKIRYVBAFMKQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/5C58H35N3S/c1-2-14-37(15-3-1)55-59-56(61-57(60-55)41-17-12-16-40(34-41)42-22-13-23-48-47-21-7-11-27-53(47)62-54(42)48)38-30-28-36(29-31-38)39-32-33-46-45-20-6-10-26-51(45)58(52(46)35-39)49-24-8-4-18-43(49)44-19-5-9-25-50(44)58;1-2-15-37(16-3-1)55-59-56(38-31-29-36(30-32-38)41-23-14-24-46-45-21-9-13-28-53(45)62-54(41)46)61-57(60-55)47-22-5-4-17-40(47)39-33-34-52-48(35-39)44-20-8-12-27-51(44)58(52)49-25-10-6-18-42(49)43-19-7-11-26-50(43)58;1-2-15-37(16-3-1)55-59-56(38-31-29-36(30-32-38)41-23-14-28-53-54(41)46-22-9-13-27-52(46)62-53)61-57(60-55)45-21-5-4-17-40(45)39-33-34-51-47(35-39)44-20-8-12-26-50(44)58(51)48-24-10-6-18-42(48)43-19-7-11-25-49(43)58;1-2-14-37(15-3-1)55-59-56(38-28-26-36(27-29-38)39-31-33-54-48(34-39)45-20-9-13-25-53(45)62-54)61-57(60-55)46-21-5-4-16-41(46)40-30-32-52-47(35-40)44-19-8-12-24-51(44)58(52)49-22-10-6-17-42(49)43-18-7-11-23-50(43)58;1-2-14-37(15-3-1)55-59-56(38-28-26-36(27-29-38)39-30-32-46-45-20-9-13-25-53(45)62-54(46)35-39)61-57(60-55)47-21-5-4-16-41(47)40-31-33-52-48(34-40)44-19-8-12-24-51(44)58(52)49-22-10-6-17-42(49)43-18-7-11-23-50(43)58/h5*1-35H.

What are the key properties of 2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine?

2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine has a molecular weight of 4030.03 g/mol, XLogP of 74.59, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 161322655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).