2-(7-chloronaphthalen-2-yl)-9,9-difluorofluorene;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

C84H60BClF4N4O2 — CID 157108146

About 2-(7-chloronaphthalen-2-yl)-9,9-difluorofluorene;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

2-(7-chloronaphthalen-2-yl)-9,9-difluorofluorene;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (PubChem CID 157108146) has the molecular formula C84H60BClF4N4O2 and a molecular weight of 1279.69 g/mol. Its IUPAC name is 2-(7-chloronaphthalen-2-yl)-9,9-difluorofluorene;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-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-(7-chloronaphthalen-2-yl)-9,9-difluorofluorene;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• PubChem CID: 157108146
• Molecular Formula: C84H60BClF4N4O2
• Molecular Weight: 1279.69 g/mol
• Exact Mass: 1278.44
• IUPAC Name: 2-(7-chloronaphthalen-2-yl)-9,9-difluorofluorene;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-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(-c3ccc4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c3)cc21.FC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(Cl)cc4c3)cc21
• InChI: InChI=1S/C39H24F2N2.C23H13ClF2.C22H23BN2O2/c40-39(41)34-14-8-7-13-32(34)33-20-19-29(23-35(33)39)28-17-15-25-16-18-30(22-31(25)21-28)37-24-36(26-9-3-1-4-10-26)42-38(43-37)27-11-5-2-6-12-27;24-18-9-7-14-5-6-15(11-17(14)12-18)16-8-10-20-19-3-1-2-4-21(19)23(25,26)22(20)13-16;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: AGNRMTFYZATPRP-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-(7-chloronaphthalen-2-yl)-9,9-difluorofluorene;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-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-(7-chloronaphthalen-2-yl)-9,9-difluorofluorene;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (CID 157108146) is 2-(7-chloronaphthalen-2-yl)-9,9-difluorofluorene;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-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-(7-chloronaphthalen-2-yl)-9,9-difluorofluorene;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-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-(7-chloronaphthalen-2-yl)-9,9-difluorofluorene;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-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(-c3ccc4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c3)cc21.FC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(Cl)cc4c3)cc21.

What is the InChIKey of 2-(7-chloronaphthalen-2-yl)-9,9-difluorofluorene;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

The InChIKey is AGNRMTFYZATPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F2N2.C23H13ClF2.C22H23BN2O2/c40-39(41)34-14-8-7-13-32(34)33-20-19-29(23-35(33)39)28-17-15-25-16-18-30(22-31(25)21-28)37-24-36(26-9-3-1-4-10-26)42-38(43-37)27-11-5-2-6-12-27;24-18-9-7-14-5-6-15(11-17(14)12-18)16-8-10-20-19-3-1-2-4-21(19)23(25,26)22(20)13-16;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-(7-chloronaphthalen-2-yl)-9,9-difluorofluorene;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

2-(7-chloronaphthalen-2-yl)-9,9-difluorofluorene;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-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-(7-chloronaphthalen-2-yl)-9,9-difluorofluorene;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-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 157108146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).