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

C51H35N3O2 — CID 159683427

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

2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine (PubChem CID 159683427) has the molecular formula C51H35N3O2 and a molecular weight of 721.86 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine
• PubChem CID: 159683427
• Molecular Formula: C51H35N3O2
• Molecular Weight: 721.86 g/mol
• Exact Mass: 721.27
• IUPAC Name: 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine
• SMILES: c1ccc2c(c1)-c1cccc(-c3ccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)c1C21CCCCC1
• InChI: InChI=1S/C51H35N3O2/c1-8-27-51(28-9-1)42-16-5-2-11-36(42)41-15-10-14-35(47(41)51)31-19-21-32(22-20-31)48-52-49(33-23-25-39-37-12-3-6-17-43(37)55-45(39)29-33)54-50(53-48)34-24-26-40-38-13-4-7-18-44(38)56-46(40)30-34/h2-7,10-26,29-30H,1,8-9,27-28H2
• InChIKey: PZBXOOQKEVYZCW-UHFFFAOYSA-N
• XLogP: 13.57
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.86
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine (CID 159683427) is 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine is c1ccc2c(c1)-c1cccc(-c3ccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)c1C21CCCCC1.

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

The InChIKey is PZBXOOQKEVYZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3O2/c1-8-27-51(28-9-1)42-16-5-2-11-36(42)41-15-10-14-35(47(41)51)31-19-21-32(22-20-31)48-52-49(33-23-25-39-37-12-3-6-17-43(37)55-45(39)29-33)54-50(53-48)34-24-26-40-38-13-4-7-18-44(38)56-46(40)30-34/h2-7,10-26,29-30H,1,8-9,27-28H2.

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

2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine has a molecular weight of 721.86 g/mol, XLogP of 13.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 159683427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).