2-bromo-7-chloro-9,9-difluorofluorene;9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;(10-phenylanthracen-9-yl)boronic acid

C135H91B2BrCl2F6N6O4 — CID 159097546

About 2-bromo-7-chloro-9,9-difluorofluorene;9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;(10-phenylanthracen-9-yl)boronic acid

2-bromo-7-chloro-9,9-difluorofluorene;9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;(10-phenylanthracen-9-yl)boronic acid (PubChem CID 159097546) has the molecular formula C135H91B2BrCl2F6N6O4 and a molecular weight of 2147.67 g/mol. Its IUPAC name is 2-bromo-7-chloro-9,9-difluorofluorene;9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;(10-phenylanthracen-9-yl)boronic acid.

Molecular Properties

• Compound Name: 2-bromo-7-chloro-9,9-difluorofluorene;9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;(10-phenylanthracen-9-yl)boronic acid
• PubChem CID: 159097546
• Molecular Formula: C135H91B2BrCl2F6N6O4
• Molecular Weight: 2147.67 g/mol
• Exact Mass: 2144.58
• IUPAC Name: 2-bromo-7-chloro-9,9-difluorofluorene;9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;(10-phenylanthracen-9-yl)boronic acid
• SMILES: CC1(C)OB(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.FC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.FC1(F)c2cc(Cl)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.FC1(F)c2cc(Cl)ccc2-c2ccc(Br)cc21.OB(O)c1c2ccccc2c(-c2ccccc2)c2ccccc12
• InChI: InChI=1S/C48H29F2N3.C33H19ClF2.C21H22BN3O2.C20H15BO2.C13H6BrClF2/c49-48(50)41-28-33(44-39-22-12-10-20-37(39)43(30-14-4-1-5-15-30)38-21-11-13-23-40(38)44)24-26-35(41)36-27-25-34(29-42(36)48)47-52-45(31-16-6-2-7-17-31)51-46(53-47)32-18-8-3-9-19-32;34-22-15-17-24-23-16-14-21(18-29(23)33(35,36)30(24)19-22)32-27-12-6-4-10-25(27)31(20-8-2-1-3-9-20)26-11-5-7-13-28(26)32;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;22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20;14-7-1-3-9-10-4-2-8(15)6-12(10)13(16,17)11(9)5-7/h1-29H;1-19H;5-14H,1-4H3;1-13,22-23H;1-6H
• InChIKey: KCVYIYWWXSRDOD-UHFFFAOYSA-N
• XLogP: 34.80
• TPSA: 136.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2147.67
LogP ≤ 5	34.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-chloro-9,9-difluorofluorene;9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;(10-phenylanthracen-9-yl)boronic acid?

The IUPAC name of 2-bromo-7-chloro-9,9-difluorofluorene;9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;(10-phenylanthracen-9-yl)boronic acid (CID 159097546) is 2-bromo-7-chloro-9,9-difluorofluorene;9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;(10-phenylanthracen-9-yl)boronic acid.

What is the SMILES notation for 2-bromo-7-chloro-9,9-difluorofluorene;9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;(10-phenylanthracen-9-yl)boronic acid?

The canonical SMILES for 2-bromo-7-chloro-9,9-difluorofluorene;9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;(10-phenylanthracen-9-yl)boronic acid is CC1(C)OB(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.FC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.FC1(F)c2cc(Cl)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.FC1(F)c2cc(Cl)ccc2-c2ccc(Br)cc21.OB(O)c1c2ccccc2c(-c2ccccc2)c2ccccc12.

What is the InChIKey of 2-bromo-7-chloro-9,9-difluorofluorene;9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;(10-phenylanthracen-9-yl)boronic acid?

The InChIKey is KCVYIYWWXSRDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29F2N3.C33H19ClF2.C21H22BN3O2.C20H15BO2.C13H6BrClF2/c49-48(50)41-28-33(44-39-22-12-10-20-37(39)43(30-14-4-1-5-15-30)38-21-11-13-23-40(38)44)24-26-35(41)36-27-25-34(29-42(36)48)47-52-45(31-16-6-2-7-17-31)51-46(53-47)32-18-8-3-9-19-32;34-22-15-17-24-23-16-14-21(18-29(23)33(35,36)30(24)19-22)32-27-12-6-4-10-25(27)31(20-8-2-1-3-9-20)26-11-5-7-13-28(26)32;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;22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20;14-7-1-3-9-10-4-2-8(15)6-12(10)13(16,17)11(9)5-7/h1-29H;1-19H;5-14H,1-4H3;1-13,22-23H;1-6H.

What are the key properties of 2-bromo-7-chloro-9,9-difluorofluorene;9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;(10-phenylanthracen-9-yl)boronic acid?

2-bromo-7-chloro-9,9-difluorofluorene;9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;(10-phenylanthracen-9-yl)boronic acid has a molecular weight of 2147.67 g/mol, XLogP of 34.80, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-7-chloro-9,9-difluorofluorene;9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;(10-phenylanthracen-9-yl)boronic acid is sourced from PubChem (CID 159097546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).