2-(6-chloro-9,9-difluorofluoren-3-yl)-4,6-diphenylpyridine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine

C96H68BClF4N8O2 — CID 159688455

About 2-(6-chloro-9,9-difluorofluoren-3-yl)-4,6-diphenylpyridine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine

2-(6-chloro-9,9-difluorofluoren-3-yl)-4,6-diphenylpyridine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine (PubChem CID 159688455) has the molecular formula C96H68BClF4N8O2 and a molecular weight of 1487.91 g/mol. Its IUPAC name is 2-(6-chloro-9,9-difluorofluoren-3-yl)-4,6-diphenylpyridine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(6-chloro-9,9-difluorofluoren-3-yl)-4,6-diphenylpyridine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
• PubChem CID: 159688455
• Molecular Formula: C96H68BClF4N8O2
• Molecular Weight: 1487.91 g/mol
• Exact Mass: 1486.52
• IUPAC Name: 2-(6-chloro-9,9-difluorofluoren-3-yl)-4,6-diphenylpyridine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
• SMILES: CC1(C)OB(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.FC1(F)c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21
• InChI: InChI=1S/C45H28F2N4.C30H18ClF2N.C21H22BN3O2/c46-45(47)38-23-21-33(41-28-35(29-13-5-1-6-14-29)27-40(48-41)30-15-7-2-8-16-30)25-36(38)37-26-34(22-24-39(37)45)44-50-42(31-17-9-3-10-18-31)49-43(51-44)32-19-11-4-12-20-32;31-23-12-14-27-25(18-23)24-15-21(11-13-26(24)30(27,32)33)29-17-22(19-7-3-1-4-8-19)16-28(34-29)20-9-5-2-6-10-20;1-20(2)21(3,4)27-22(26-20)19-24-17(15-11-7-5-8-12-15)23-18(25-19)16-13-9-6-10-14-16/h1-28H;1-18H;5-14H,1-4H3
• InChIKey: MWCIVHGZBCZIQA-UHFFFAOYSA-N
• XLogP: 23.75
• TPSA: 121.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1487.91
LogP ≤ 5	23.75
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-(6-chloro-9,9-difluorofluoren-3-yl)-4,6-diphenylpyridine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?

The IUPAC name of 2-(6-chloro-9,9-difluorofluoren-3-yl)-4,6-diphenylpyridine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine (CID 159688455) is 2-(6-chloro-9,9-difluorofluoren-3-yl)-4,6-diphenylpyridine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine.

What is the SMILES notation for 2-(6-chloro-9,9-difluorofluoren-3-yl)-4,6-diphenylpyridine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?

The canonical SMILES for 2-(6-chloro-9,9-difluorofluoren-3-yl)-4,6-diphenylpyridine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine is CC1(C)OB(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.FC1(F)c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21.

What is the InChIKey of 2-(6-chloro-9,9-difluorofluoren-3-yl)-4,6-diphenylpyridine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?

The InChIKey is MWCIVHGZBCZIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28F2N4.C30H18ClF2N.C21H22BN3O2/c46-45(47)38-23-21-33(41-28-35(29-13-5-1-6-14-29)27-40(48-41)30-15-7-2-8-16-30)25-36(38)37-26-34(22-24-39(37)45)44-50-42(31-17-9-3-10-18-31)49-43(51-44)32-19-11-4-12-20-32;31-23-12-14-27-25(18-23)24-15-21(11-13-26(24)30(27,32)33)29-17-22(19-7-3-1-4-8-19)16-28(34-29)20-9-5-2-6-10-20;1-20(2)21(3,4)27-22(26-20)19-24-17(15-11-7-5-8-12-15)23-18(25-19)16-13-9-6-10-14-16/h1-28H;1-18H;5-14H,1-4H3.

What are the key properties of 2-(6-chloro-9,9-difluorofluoren-3-yl)-4,6-diphenylpyridine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?

2-(6-chloro-9,9-difluorofluoren-3-yl)-4,6-diphenylpyridine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine has a molecular weight of 1487.91 g/mol, XLogP of 23.75, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-9,9-difluorofluoren-3-yl)-4,6-diphenylpyridine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 159688455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).