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

C96H78BClN6O4 — CID 161055745

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

2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane (PubChem CID 161055745) has the molecular formula C96H78BClN6O4 and a molecular weight of 1425.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane
• PubChem CID: 161055745
• Molecular Formula: C96H78BClN6O4
• Molecular Weight: 1425.98 g/mol
• Exact Mass: 1424.59
• IUPAC Name: 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)OC1(C)C.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
• InChI: InChI=1S/C45H33N3O.C27H16ClN3O.C24H29BO2/c1-3-12-30(13-4-1)42-46-43(48-44(47-42)37-17-11-16-36-35-15-6-8-19-40(35)49-41(36)37)31-22-20-29(21-23-31)32-24-25-34-33-14-5-7-18-38(33)45(39(34)28-32)26-9-2-10-27-45;28-19-15-13-18(14-16-19)26-29-25(17-7-2-1-3-8-17)30-27(31-26)22-11-6-10-21-20-9-4-5-12-23(20)32-24(21)22;1-22(2)23(3,4)27-25(26-22)17-12-13-19-18-10-6-7-11-20(18)24(21(19)16-17)14-8-5-9-15-24/h1,3-8,11-25,28H,2,9-10,26-27H2;1-16H;6-7,10-13,16H,5,8-9,14-15H2,1-4H3
• InChIKey: UCSLZDXMZHMAIM-UHFFFAOYSA-N
• XLogP: 24.31
• TPSA: 122.08 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1425.98
LogP ≤ 5	24.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane (CID 161055745) is 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane.

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

The canonical SMILES for 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)OC1(C)C.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.

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

The InChIKey is UCSLZDXMZHMAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N3O.C27H16ClN3O.C24H29BO2/c1-3-12-30(13-4-1)42-46-43(48-44(47-42)37-17-11-16-36-35-15-6-8-19-40(35)49-41(36)37)31-22-20-29(21-23-31)32-24-25-34-33-14-5-7-18-38(33)45(39(34)28-32)26-9-2-10-27-45;28-19-15-13-18(14-16-19)26-29-25(17-7-2-1-3-8-17)30-27(31-26)22-11-6-10-21-20-9-4-5-12-23(20)32-24(21)22;1-22(2)23(3,4)27-25(26-22)17-12-13-19-18-10-6-7-11-20(18)24(21(19)16-17)14-8-5-9-15-24/h1,3-8,11-25,28H,2,9-10,26-27H2;1-16H;6-7,10-13,16H,5,8-9,14-15H2,1-4H3.

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

2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane has a molecular weight of 1425.98 g/mol, XLogP of 24.31, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 161055745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).