3-bromo-6-chloro-9,9-difluorofluorene;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-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

C134H100B2BrCl2F6N7O4 — CID 162218275

About 3-bromo-6-chloro-9,9-difluorofluorene;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-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

3-bromo-6-chloro-9,9-difluorofluorene;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-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (PubChem CID 162218275) has the molecular formula C134H100B2BrCl2F6N7O4 and a molecular weight of 2158.74 g/mol. Its IUPAC name is 3-bromo-6-chloro-9,9-difluorofluorene;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-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.

Molecular Properties

• Compound Name: 3-bromo-6-chloro-9,9-difluorofluorene;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-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• PubChem CID: 162218275
• Molecular Formula: C134H100B2BrCl2F6N7O4
• Molecular Weight: 2158.74 g/mol
• Exact Mass: 2155.65
• IUPAC Name: 3-bromo-6-chloro-9,9-difluorofluorene;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-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• SMILES: CC1(C)OB(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)OC1(C)C.CC1(C)OB(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)OC1(C)C.FC1(F)c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(Br)ccc21
• InChI: InChI=1S/C46H29F2N3.C30H18ClF2N.C23H24BNO2.C22H23BN2O2.C13H6BrClF2/c47-46(48)39-23-21-34(42-28-36(30-13-5-1-6-14-30)27-41(49-42)31-15-7-2-8-16-31)25-37(39)38-26-35(22-24-40(38)46)45-50-43(32-17-9-3-10-18-32)29-44(51-45)33-19-11-4-12-20-33;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;1-22(2)23(3,4)27-24(26-22)21-16-19(17-11-7-5-8-12-17)15-20(25-21)18-13-9-6-10-14-18;1-21(2)22(3,4)27-23(26-21)20-24-18(16-11-7-5-8-12-16)15-19(25-20)17-13-9-6-10-14-17;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)13(11,16)17/h1-29H;1-18H;5-16H,1-4H3;5-15H,1-4H3;1-6H
• InChIKey: ZTTPSXBYKGUNEI-UHFFFAOYSA-N
• XLogP: 34.90
• TPSA: 127.15 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2158.74
LogP ≤ 5	34.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-bromo-6-chloro-9,9-difluorofluorene;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-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (CID 162218275) is 3-bromo-6-chloro-9,9-difluorofluorene;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-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.

What is the SMILES notation for 3-bromo-6-chloro-9,9-difluorofluorene;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-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

The canonical SMILES for 3-bromo-6-chloro-9,9-difluorofluorene;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-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is CC1(C)OB(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)OC1(C)C.CC1(C)OB(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)OC1(C)C.FC1(F)c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(Br)ccc21.

What is the InChIKey of 3-bromo-6-chloro-9,9-difluorofluorene;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-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

The InChIKey is ZTTPSXBYKGUNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29F2N3.C30H18ClF2N.C23H24BNO2.C22H23BN2O2.C13H6BrClF2/c47-46(48)39-23-21-34(42-28-36(30-13-5-1-6-14-30)27-41(49-42)31-15-7-2-8-16-31)25-37(39)38-26-35(22-24-40(38)46)45-50-43(32-17-9-3-10-18-32)29-44(51-45)33-19-11-4-12-20-33;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;1-22(2)23(3,4)27-24(26-22)21-16-19(17-11-7-5-8-12-17)15-20(25-21)18-13-9-6-10-14-18;1-21(2)22(3,4)27-23(26-21)20-24-18(16-11-7-5-8-12-16)15-19(25-20)17-13-9-6-10-14-17;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)13(11,16)17/h1-29H;1-18H;5-16H,1-4H3;5-15H,1-4H3;1-6H.

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

3-bromo-6-chloro-9,9-difluorofluorene;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-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine has a molecular weight of 2158.74 g/mol, XLogP of 34.90, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-chloro-9,9-difluorofluorene;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-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is sourced from PubChem (CID 162218275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).