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

C114H82N6O2 — CID 158110650

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

2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 158110650) has the molecular formula C114H82N6O2 and a molecular weight of 1567.95 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
• PubChem CID: 158110650
• Molecular Formula: C114H82N6O2
• Molecular Weight: 1567.95 g/mol
• Exact Mass: 1566.65
• IUPAC Name: 2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc(-c6ccc7c(c6)C6(CCCCC6)c6ccccc6-7)c5)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6ccc7c(c6)C6(CCCCC6)c6ccccc6-7)c5)c4)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
• InChI: InChI=1S/2C57H41N3O/c1-3-15-37(16-4-1)38-17-12-21-43(34-38)54-58-55(60-56(59-54)49-26-14-25-48-47-24-6-8-28-52(47)61-53(48)49)44-22-13-20-41(35-44)39-18-11-19-40(33-39)42-29-30-46-45-23-5-7-27-50(45)57(51(46)36-42)31-9-2-10-32-57;1-3-13-37(14-4-1)38-23-25-39(26-24-38)54-58-55(60-56(59-54)45-28-30-49-48-20-6-8-22-52(48)61-53(49)36-45)44-18-12-17-42(34-44)40-15-11-16-41(33-40)43-27-29-47-46-19-5-7-21-50(46)57(51(47)35-43)31-9-2-10-32-57/h2*1,3-8,11-30,33-36H,2,9-10,31-32H2
• InChIKey: FQJSAADZKDBHHW-UHFFFAOYSA-N
• XLogP: 30.01
• TPSA: 103.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1567.95
LogP ≤ 5	30.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine (CID 158110650) is 2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc(-c6ccc7c(c6)C6(CCCCC6)c6ccccc6-7)c5)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6ccc7c(c6)C6(CCCCC6)c6ccccc6-7)c5)c4)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1.

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

The InChIKey is FQJSAADZKDBHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H41N3O/c1-3-15-37(16-4-1)38-17-12-21-43(34-38)54-58-55(60-56(59-54)49-26-14-25-48-47-24-6-8-28-52(47)61-53(48)49)44-22-13-20-41(35-44)39-18-11-19-40(33-39)42-29-30-46-45-23-5-7-27-50(45)57(51(46)36-42)31-9-2-10-32-57;1-3-13-37(14-4-1)38-23-25-39(26-24-38)54-58-55(60-56(59-54)45-28-30-49-48-20-6-8-22-52(48)61-53(49)36-45)44-18-12-17-42(34-44)40-15-11-16-41(33-40)43-27-29-47-46-19-5-7-21-50(46)57(51(47)35-43)31-9-2-10-32-57/h2*1,3-8,11-30,33-36H,2,9-10,31-32H2.

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

2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 1567.95 g/mol, XLogP of 30.01, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 158110650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).