2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine

C64H37N3OS2 — CID 153369668

About 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine

2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 153369668) has the molecular formula C64H37N3OS2 and a molecular weight of 928.15 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
• PubChem CID: 153369668
• Molecular Formula: C64H37N3OS2
• Molecular Weight: 928.15 g/mol
• Exact Mass: 927.24
• IUPAC Name: 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccc9c(c8)sc8ccccc89)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)cc32)cc1
• InChI: InChI=1S/C64H37N3OS2/c1-3-15-41(16-4-1)64(42-17-5-2-6-18-42)51-24-10-7-19-43(51)44-32-29-39(36-52(44)64)38-31-34-53-50(35-38)59-48(22-13-25-54(59)68-53)62-65-61(40-30-33-46-45-20-8-11-26-55(45)70-58(46)37-40)66-63(67-62)49-23-14-28-57-60(49)47-21-9-12-27-56(47)69-57/h1-37H
• InChIKey: RCRJUFQZDNEYLI-UHFFFAOYSA-N
• XLogP: 17.54
• TPSA: 51.81 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.15
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine?

The IUPAC name of 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine (CID 153369668) is 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine.

What is the SMILES notation for 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine?

The canonical SMILES for 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccc9c(c8)sc8ccccc89)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)cc32)cc1.

What is the InChIKey of 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine?

The InChIKey is RCRJUFQZDNEYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H37N3OS2/c1-3-15-41(16-4-1)64(42-17-5-2-6-18-42)51-24-10-7-19-43(51)44-32-29-39(36-52(44)64)38-31-34-53-50(35-38)59-48(22-13-25-54(59)68-53)62-65-61(40-30-33-46-45-20-8-11-26-55(45)70-58(46)37-40)66-63(67-62)49-23-14-28-57-60(49)47-21-9-12-27-56(47)69-57/h1-37H.

What are the key properties of 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine?

2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 928.15 g/mol, XLogP of 17.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 153369668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).