2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine

C112H70N6OS — CID 163446691

About 2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine (PubChem CID 163446691) has the molecular formula C112H70N6OS and a molecular weight of 1547.90 g/mol. Its IUPAC name is 2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine
• PubChem CID: 163446691
• Molecular Formula: C112H70N6OS
• Molecular Weight: 1547.90 g/mol
• Exact Mass: 1546.53
• IUPAC Name: 2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)oc4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-c5cccc6sc7ccc(C8(c9ccccc9)c9ccccc9-c9ccccc98)cc7c56)ccc34)n2)cc1
• InChI: InChI=1S/C56H35N3O.C56H35N3S/c1-3-15-37(16-4-1)53-57-54(59-55(58-53)42-27-26-36-14-7-8-17-38(36)32-42)41-19-13-18-39(33-41)40-28-30-47-48-31-29-44(35-52(48)60-51(47)34-40)56(43-20-5-2-6-21-43)49-24-11-9-22-45(49)46-23-10-12-25-50(46)56;1-4-16-36(17-5-1)53-57-54(37-18-6-2-7-19-37)59-55(58-53)46-26-14-20-38-34-39(30-32-42(38)46)43-25-15-29-51-52(43)47-35-41(31-33-50(47)60-51)56(40-21-8-3-9-22-40)48-27-12-10-23-44(48)45-24-11-13-28-49(45)56/h2*1-35H
• InChIKey: BDCKPDLPDYELFE-UHFFFAOYSA-N
• XLogP: 28.38
• TPSA: 90.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1547.90
LogP ≤ 5	28.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine (CID 163446691) is 2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)oc4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-c5cccc6sc7ccc(C8(c9ccccc9)c9ccccc9-c9ccccc98)cc7c56)ccc34)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine?

The InChIKey is BDCKPDLPDYELFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O.C56H35N3S/c1-3-15-37(16-4-1)53-57-54(59-55(58-53)42-27-26-36-14-7-8-17-38(36)32-42)41-19-13-18-39(33-41)40-28-30-47-48-31-29-44(35-52(48)60-51(47)34-40)56(43-20-5-2-6-21-43)49-24-11-9-22-45(49)46-23-10-12-25-50(46)56;1-4-16-36(17-5-1)53-57-54(37-18-6-2-7-19-37)59-55(58-53)46-26-14-20-38-34-39(30-32-42(38)46)43-25-15-29-51-52(43)47-35-41(31-33-50(47)60-51)56(40-21-8-3-9-22-40)48-27-12-10-23-44(48)45-24-11-13-28-49(45)56/h2*1-35H.

What are the key properties of 2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine?

2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine has a molecular weight of 1547.90 g/mol, XLogP of 28.38, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 163446691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).