2-dibenzofuran-1-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine

C64H39N3O — CID 153287658

About 2-dibenzofuran-1-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine

2-dibenzofuran-1-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine (PubChem CID 153287658) has the molecular formula C64H39N3O and a molecular weight of 866.04 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
• PubChem CID: 153287658
• Molecular Formula: C64H39N3O
• Molecular Weight: 866.04 g/mol
• Exact Mass: 865.31
• IUPAC Name: 2-dibenzofuran-1-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-c6ccccc64)c4ccccc4-5)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1
• InChI: InChI=1S/C64H39N3O/c1-3-18-40(19-4-1)43-36-44(41-20-5-2-6-21-41)38-45(37-43)62-65-61(66-63(67-62)53-28-17-33-59-60(53)52-27-12-16-32-58(52)68-59)42-34-35-51-50-26-11-15-31-56(50)64(57(51)39-42)54-29-13-9-24-48(54)46-22-7-8-23-47(46)49-25-10-14-30-55(49)64/h1-39H
• InChIKey: PBJUKZBSVDIEOY-UHFFFAOYSA-N
• XLogP: 16.12
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	866.04
LogP ≤ 5	16.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine (CID 153287658) is 2-dibenzofuran-1-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-c6ccccc64)c4ccccc4-5)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1.

What is the InChIKey of 2-dibenzofuran-1-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine?

The InChIKey is PBJUKZBSVDIEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N3O/c1-3-18-40(19-4-1)43-36-44(41-20-5-2-6-21-41)38-45(37-43)62-65-61(66-63(67-62)53-28-17-33-59-60(53)52-27-12-16-32-58(52)68-59)42-34-35-51-50-26-11-15-31-56(50)64(57(51)39-42)54-29-13-9-24-48(54)46-22-7-8-23-47(46)49-25-10-14-30-55(49)64/h1-39H.

What are the key properties of 2-dibenzofuran-1-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine?

2-dibenzofuran-1-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine has a molecular weight of 866.04 g/mol, XLogP of 16.12, 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-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine is sourced from PubChem (CID 153287658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).