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

C54H33N3O2S — CID 153369807

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

2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 153369807) has the molecular formula C54H33N3O2S and a molecular weight of 787.94 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
• PubChem CID: 153369807
• Molecular Formula: C54H33N3O2S
• Molecular Weight: 787.94 g/mol
• Exact Mass: 787.23
• IUPAC Name: 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccc8c(c7)sc7ccccc78)nc(-c7cccc8oc9ccccc9c78)n6)c5c4c3)cc21
• InChI: InChI=1S/C54H33N3O2S/c1-54(2)41-16-6-3-11-33(41)34-24-21-31(28-42(34)54)30-23-26-44-40(27-30)50-39(15-10-19-46(50)59-44)53-56-51(32-22-25-36-35-12-5-8-20-47(35)60-48(36)29-32)55-52(57-53)38-14-9-18-45-49(38)37-13-4-7-17-43(37)58-45/h3-29H,1-2H3
• InChIKey: MAZCJNUSXPFSBJ-UHFFFAOYSA-N
• XLogP: 15.01
• TPSA: 64.95 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.94
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine (CID 153369807) is 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccc8c(c7)sc7ccccc78)nc(-c7cccc8oc9ccccc9c78)n6)c5c4c3)cc21.

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

The InChIKey is MAZCJNUSXPFSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O2S/c1-54(2)41-16-6-3-11-33(41)34-24-21-31(28-42(34)54)30-23-26-44-40(27-30)50-39(15-10-19-46(50)59-44)53-56-51(32-22-25-36-35-12-5-8-20-47(35)60-48(36)29-32)55-52(57-53)38-14-9-18-45-49(38)37-13-4-7-17-43(37)58-45/h3-29H,1-2H3.

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

2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 787.94 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 153369807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).