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

C58H35N3O — CID 146649061

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

2-dibenzofuran-1-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 146649061) has the molecular formula C58H35N3O and a molecular weight of 789.94 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 146649061
• Molecular Formula: C58H35N3O
• Molecular Weight: 789.94 g/mol
• Exact Mass: 789.28
• IUPAC Name: 2-dibenzofuran-1-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
• InChI: InChI=1S/C58H35N3O/c1-2-14-38(15-3-1)55-59-56(61-57(60-55)47-22-13-27-53-54(47)46-21-7-11-26-52(46)62-53)41-17-12-16-39(34-41)36-28-30-37(31-29-36)40-32-33-45-44-20-6-10-25-50(44)58(51(45)35-40)48-23-8-4-18-42(48)43-19-5-9-24-49(43)58/h1-35H
• InChIKey: RGKLHVHFBHIEGT-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.94
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine (CID 146649061) is 2-dibenzofuran-1-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-1-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.

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

The InChIKey is RGKLHVHFBHIEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O/c1-2-14-38(15-3-1)55-59-56(61-57(60-55)47-22-13-27-53-54(47)46-21-7-11-26-52(46)62-53)41-17-12-16-39(34-41)36-28-30-37(31-29-36)40-32-33-45-44-20-6-10-25-50(44)58(51(45)35-40)48-23-8-4-18-42(48)43-19-5-9-24-49(43)58/h1-35H.

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

2-dibenzofuran-1-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 789.94 g/mol, XLogP of 14.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 146649061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).