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

C54H38N6O — CID 174300084

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

2-dibenzofuran-4-yl-4-phenyl-6-[3-(4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine (PubChem CID 174300084) has the molecular formula C54H38N6O and a molecular weight of 786.94 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-phenyl-6-[3-(4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-phenyl-6-[3-(4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine
• PubChem CID: 174300084
• Molecular Formula: C54H38N6O
• Molecular Weight: 786.94 g/mol
• Exact Mass: 786.31
• IUPAC Name: 2-dibenzofuran-4-yl-4-phenyl-6-[3-(4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c3)nc(-c3cccc4c3-c3ccccc3C43CCCCC3)n2)cc1
• InChI: InChI=1S/C54H38N6O/c1-4-17-34(18-5-1)48-55-50(59-52(57-48)41-26-16-29-44-46(41)40-24-8-10-28-43(40)54(44)31-12-3-13-32-54)36-21-14-22-37(33-36)51-56-49(35-19-6-2-7-20-35)58-53(60-51)42-27-15-25-39-38-23-9-11-30-45(38)61-47(39)42/h1-2,4-11,14-30,33H,3,12-13,31-32H2
• InChIKey: XRXAFEFGRSUGCU-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 90.48 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.94
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-[3-(4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine (CID 174300084) is 2-dibenzofuran-4-yl-4-phenyl-6-[3-(4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-4-yl-4-phenyl-6-[3-(4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c3)nc(-c3cccc4c3-c3ccccc3C43CCCCC3)n2)cc1.

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

The InChIKey is XRXAFEFGRSUGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N6O/c1-4-17-34(18-5-1)48-55-50(59-52(57-48)41-26-16-29-44-46(41)40-24-8-10-28-43(40)54(44)31-12-3-13-32-54)36-21-14-22-37(33-36)51-56-49(35-19-6-2-7-20-35)58-53(60-51)42-27-15-25-39-38-23-9-11-30-45(38)61-47(39)42/h1-2,4-11,14-30,33H,3,12-13,31-32H2.

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

2-dibenzofuran-4-yl-4-phenyl-6-[3-(4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 786.94 g/mol, XLogP of 13.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-4-phenyl-6-[3-(4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 174300084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).