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

C114H82N6O2 — CID 159562639

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

2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 159562639) has the molecular formula C114H82N6O2 and a molecular weight of 1567.95 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
• PubChem CID: 159562639
• Molecular Formula: C114H82N6O2
• Molecular Weight: 1567.95 g/mol
• Exact Mass: 1566.65
• IUPAC Name: 2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccc7c(c6)-c6ccccc6C76CCCCC6)cc5)cc4)nc(-c4ccc5oc6ccccc6c5c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-c6ccc7c(c6)-c6ccccc6C76CCCCC6)cc5)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1
• InChI: InChI=1S/2C57H41N3O/c1-3-12-37(13-4-1)42-14-11-15-44(34-42)55-58-54(59-56(60-55)45-28-30-48-47-17-6-8-19-52(47)61-53(48)36-45)41-26-24-39(25-27-41)38-20-22-40(23-21-38)43-29-31-51-49(35-43)46-16-5-7-18-50(46)57(51)32-9-2-10-33-57;1-3-11-37(12-4-1)38-21-25-42(26-22-38)54-58-55(60-56(59-54)45-30-32-53-49(36-45)47-14-6-8-16-52(47)61-53)43-27-23-40(24-28-43)39-17-19-41(20-18-39)44-29-31-51-48(35-44)46-13-5-7-15-50(46)57(51)33-9-2-10-34-57/h1,3-8,11-31,34-36H,2,9-10,32-33H2;1,3-8,11-32,35-36H,2,9-10,33-34H2
• InChIKey: MGUUZZUVFUGWSO-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-2-yl-4-(4-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine (CID 159562639) is 2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccc7c(c6)-c6ccccc6C76CCCCC6)cc5)cc4)nc(-c4ccc5oc6ccccc6c5c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-c6ccc7c(c6)-c6ccccc6C76CCCCC6)cc5)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1.

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

The InChIKey is MGUUZZUVFUGWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H41N3O/c1-3-12-37(13-4-1)42-14-11-15-44(34-42)55-58-54(59-56(60-55)45-28-30-48-47-17-6-8-19-52(47)61-53(48)36-45)41-26-24-39(25-27-41)38-20-22-40(23-21-38)43-29-31-51-49(35-43)46-16-5-7-18-50(46)57(51)32-9-2-10-33-57;1-3-11-37(12-4-1)38-21-25-42(26-22-38)54-58-55(60-56(59-54)45-30-32-53-49(36-45)47-14-6-8-16-52(47)61-53)43-27-23-40(24-28-43)39-17-19-41(20-18-39)44-29-31-51-48(35-44)46-13-5-7-15-50(46)57(51)33-9-2-10-34-57/h1,3-8,11-31,34-36H,2,9-10,32-33H2;1,3-8,11-32,35-36H,2,9-10,33-34H2.

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

2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-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-2-yl-4-(4-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 159562639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).