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

C51H35N3O2 — CID 158143525

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

2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine (PubChem CID 158143525) has the molecular formula C51H35N3O2 and a molecular weight of 721.86 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
• PubChem CID: 158143525
• Molecular Formula: C51H35N3O2
• Molecular Weight: 721.86 g/mol
• Exact Mass: 721.27
• IUPAC Name: 2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
• SMILES: c1cc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc(-c2cccc3c2-c2ccccc2C32CCCCC2)c1
• InChI: InChI=1S/C51H35N3O2/c1-8-28-51(29-9-1)41-24-5-2-18-38(41)45-33(19-13-25-42(45)51)31-14-10-15-32(30-31)48-52-49(39-22-11-20-36-34-16-3-6-26-43(34)55-46(36)39)54-50(53-48)40-23-12-21-37-35-17-4-7-27-44(35)56-47(37)40/h2-7,10-27,30H,1,8-9,28-29H2
• InChIKey: FURPPPQOXIHEMT-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-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine (CID 158143525) is 2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine is c1cc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc(-c2cccc3c2-c2ccccc2C32CCCCC2)c1.

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

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

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

2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-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-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 158143525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).