2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

C84H60BClF4N4O2 — CID 158442215

About 2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (PubChem CID 158442215) has the molecular formula C84H60BClF4N4O2 and a molecular weight of 1279.69 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.

Molecular Properties

• Compound Name: 2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• PubChem CID: 158442215
• Molecular Formula: C84H60BClF4N4O2
• Molecular Weight: 1279.69 g/mol
• Exact Mass: 1278.44
• IUPAC Name: 2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• SMILES: CC1(C)OB(c2cc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.FC1(F)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)cc21.FC1(F)c2ccccc2-c2ccc(-c3ccc(Cl)c4ccccc34)cc21
• InChI: InChI=1S/C39H24F2N2.C23H13ClF2.C22H23BN2O2/c40-39(41)34-18-10-9-17-31(34)32-20-19-27(23-35(32)39)28-21-22-33(30-16-8-7-15-29(28)30)37-24-36(25-11-3-1-4-12-25)42-38(43-37)26-13-5-2-6-14-26;24-22-12-11-15(16-5-1-2-7-19(16)22)14-9-10-18-17-6-3-4-8-20(17)23(25,26)21(18)13-14;1-21(2)22(3,4)27-23(26-21)19-15-18(16-11-7-5-8-12-16)24-20(25-19)17-13-9-6-10-14-17/h1-24H;1-13H;5-15H,1-4H3
• InChIKey: HCYNJTWBJZYCPZ-UHFFFAOYSA-N
• XLogP: 21.81
• TPSA: 70.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1279.69
LogP ≤ 5	21.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

The IUPAC name of 2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (CID 158442215) is 2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.

What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

The canonical SMILES for 2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is CC1(C)OB(c2cc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.FC1(F)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)cc21.FC1(F)c2ccccc2-c2ccc(-c3ccc(Cl)c4ccccc34)cc21.

What is the InChIKey of 2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

The InChIKey is HCYNJTWBJZYCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F2N2.C23H13ClF2.C22H23BN2O2/c40-39(41)34-18-10-9-17-31(34)32-20-19-27(23-35(32)39)28-21-22-33(30-16-8-7-15-29(28)30)37-24-36(25-11-3-1-4-12-25)42-38(43-37)26-13-5-2-6-14-26;24-22-12-11-15(16-5-1-2-7-19(16)22)14-9-10-18-17-6-3-4-8-20(17)23(25,26)21(18)13-14;1-21(2)22(3,4)27-23(26-21)19-15-18(16-11-7-5-8-12-16)24-20(25-19)17-13-9-6-10-14-17/h1-24H;1-13H;5-15H,1-4H3.

What are the key properties of 2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine has a molecular weight of 1279.69 g/mol, XLogP of 21.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is sourced from PubChem (CID 158442215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).