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

C156H114B2BrCl2F6N9O4 — CID 158505755

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

3-bromo-6-chloro-9,9-difluorofluorene;2-[4-(6-chloro-9,9-difluorofluoren-3-yl)phenyl]-4,6-diphenylpyridine;2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 158505755) has the molecular formula C156H114B2BrCl2F6N9O4 and a molecular weight of 2465.11 g/mol. Its IUPAC name is 3-bromo-6-chloro-9,9-difluorofluorene;2-[4-(6-chloro-9,9-difluorofluoren-3-yl)phenyl]-4,6-diphenylpyridine;2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: 3-bromo-6-chloro-9,9-difluorofluorene;2-[4-(6-chloro-9,9-difluorofluoren-3-yl)phenyl]-4,6-diphenylpyridine;2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 158505755
• Molecular Formula: C156H114B2BrCl2F6N9O4
• Molecular Weight: 2465.11 g/mol
• Exact Mass: 2461.76
• IUPAC Name: 3-bromo-6-chloro-9,9-difluorofluorene;2-[4-(6-chloro-9,9-difluorofluoren-3-yl)phenyl]-4,6-diphenylpyridine;2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: CC1(C)OB(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)OC1(C)C.FC1(F)c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc2-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(Br)ccc21
• InChI: InChI=1S/C57H36F2N4.C36H22ClF2N.C27H26BN3O2.C23H24BNO2.C13H6BrClF2/c58-57(59)50-31-29-45(38-21-25-41(26-22-38)53-36-47(37-13-5-1-6-14-37)35-52(60-53)40-15-7-2-8-16-40)33-48(50)49-34-46(30-32-51(49)57)39-23-27-44(28-24-39)56-62-54(42-17-9-3-10-18-42)61-55(63-56)43-19-11-4-12-20-43;37-29-16-18-33-31(22-29)30-19-27(15-17-32(30)36(33,38)39)24-11-13-26(14-12-24)35-21-28(23-7-3-1-4-8-23)20-34(40-35)25-9-5-2-6-10-25;1-26(2)27(3,4)33-28(32-26)22-17-15-21(16-18-22)25-30-23(19-11-7-5-8-12-19)29-24(31-25)20-13-9-6-10-14-20;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;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)13(11,16)17/h1-36H;1-22H;5-18H,1-4H3;5-16H,1-4H3;1-6H
• InChIKey: HKLGIUUNDBRTJA-UHFFFAOYSA-N
• XLogP: 40.36
• TPSA: 152.93 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2465.11
LogP ≤ 5	40.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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

The IUPAC name of 3-bromo-6-chloro-9,9-difluorofluorene;2-[4-(6-chloro-9,9-difluorofluoren-3-yl)phenyl]-4,6-diphenylpyridine;2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 158505755) is 3-bromo-6-chloro-9,9-difluorofluorene;2-[4-(6-chloro-9,9-difluorofluoren-3-yl)phenyl]-4,6-diphenylpyridine;2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

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

The canonical SMILES for 3-bromo-6-chloro-9,9-difluorofluorene;2-[4-(6-chloro-9,9-difluorofluoren-3-yl)phenyl]-4,6-diphenylpyridine;2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)OC1(C)C.FC1(F)c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc2-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(Br)ccc21.

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

The InChIKey is HKLGIUUNDBRTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36F2N4.C36H22ClF2N.C27H26BN3O2.C23H24BNO2.C13H6BrClF2/c58-57(59)50-31-29-45(38-21-25-41(26-22-38)53-36-47(37-13-5-1-6-14-37)35-52(60-53)40-15-7-2-8-16-40)33-48(50)49-34-46(30-32-51(49)57)39-23-27-44(28-24-39)56-62-54(42-17-9-3-10-18-42)61-55(63-56)43-19-11-4-12-20-43;37-29-16-18-33-31(22-29)30-19-27(15-17-32(30)36(33,38)39)24-11-13-26(14-12-24)35-21-28(23-7-3-1-4-8-23)20-34(40-35)25-9-5-2-6-10-25;1-26(2)27(3,4)33-28(32-26)22-17-15-21(16-18-22)25-30-23(19-11-7-5-8-12-19)29-24(31-25)20-13-9-6-10-14-20;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;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)13(11,16)17/h1-36H;1-22H;5-18H,1-4H3;5-16H,1-4H3;1-6H.

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

3-bromo-6-chloro-9,9-difluorofluorene;2-[4-(6-chloro-9,9-difluorofluoren-3-yl)phenyl]-4,6-diphenylpyridine;2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 2465.11 g/mol, XLogP of 40.36, 19 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-chloro-9,9-difluorofluorene;2-[4-(6-chloro-9,9-difluorofluoren-3-yl)phenyl]-4,6-diphenylpyridine;2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 158505755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).