2-bromo-7-chloro-9,9-difluorofluorene;4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine

C129H95B2BrCl2F6N12O4 — CID 160570393

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

2-bromo-7-chloro-9,9-difluorofluorene;4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine (PubChem CID 160570393) has the molecular formula C129H95B2BrCl2F6N12O4 and a molecular weight of 2163.68 g/mol. Its IUPAC name is 2-bromo-7-chloro-9,9-difluorofluorene;4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-bromo-7-chloro-9,9-difluorofluorene;4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
• PubChem CID: 160570393
• Molecular Formula: C129H95B2BrCl2F6N12O4
• Molecular Weight: 2163.68 g/mol
• Exact Mass: 2160.62
• IUPAC Name: 2-bromo-7-chloro-9,9-difluorofluorene;4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
• SMILES: CC1(C)OB(c2cc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.CC1(C)OB(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.FC1(F)c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.FC1(F)c2cc(Cl)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.FC1(F)c2cc(Cl)ccc2-c2ccc(Br)cc21
• InChI: InChI=1S/C44H27F2N5.C29H17ClF2N2.C22H23BN2O2.C21H22BN3O2.C13H6BrClF2/c45-44(46)36-25-32(39-27-38(28-13-5-1-6-14-28)47-40(48-39)29-15-7-2-8-16-29)21-23-34(36)35-24-22-33(26-37(35)44)43-50-41(30-17-9-3-10-18-30)49-42(51-43)31-19-11-4-12-20-31;30-21-12-14-23-22-13-11-20(15-24(22)29(31,32)25(23)16-21)27-17-26(18-7-3-1-4-8-18)33-28(34-27)19-9-5-2-6-10-19;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;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;14-7-1-3-9-10-4-2-8(15)6-12(10)13(16,17)11(9)5-7/h1-27H;1-17H;5-15H,1-4H3;5-14H,1-4H3;1-6H
• InChIKey: RALXSSVGIRJESR-UHFFFAOYSA-N
• XLogP: 31.87
• TPSA: 191.60 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2163.68
LogP ≤ 5	31.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-chloro-9,9-difluorofluorene;4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?

The IUPAC name of 2-bromo-7-chloro-9,9-difluorofluorene;4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine (CID 160570393) is 2-bromo-7-chloro-9,9-difluorofluorene;4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;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-bromo-7-chloro-9,9-difluorofluorene;4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?

The canonical SMILES for 2-bromo-7-chloro-9,9-difluorofluorene;4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine is CC1(C)OB(c2cc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.CC1(C)OB(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.FC1(F)c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.FC1(F)c2cc(Cl)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.FC1(F)c2cc(Cl)ccc2-c2ccc(Br)cc21.

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

The InChIKey is RALXSSVGIRJESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27F2N5.C29H17ClF2N2.C22H23BN2O2.C21H22BN3O2.C13H6BrClF2/c45-44(46)36-25-32(39-27-38(28-13-5-1-6-14-28)47-40(48-39)29-15-7-2-8-16-29)21-23-34(36)35-24-22-33(26-37(35)44)43-50-41(30-17-9-3-10-18-30)49-42(51-43)31-19-11-4-12-20-31;30-21-12-14-23-22-13-11-20(15-24(22)29(31,32)25(23)16-21)27-17-26(18-7-3-1-4-8-18)33-28(34-27)19-9-5-2-6-10-19;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;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;14-7-1-3-9-10-4-2-8(15)6-12(10)13(16,17)11(9)5-7/h1-27H;1-17H;5-15H,1-4H3;5-14H,1-4H3;1-6H.

What are the key properties of 2-bromo-7-chloro-9,9-difluorofluorene;4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?

2-bromo-7-chloro-9,9-difluorofluorene;4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine has a molecular weight of 2163.68 g/mol, XLogP of 31.87, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-7-chloro-9,9-difluorofluorene;4-(7-chloro-9,9-difluorofluoren-2-yl)-2,6-diphenylpyrimidine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 160570393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).