3-bromo-6-chloro-9,9-difluorofluorene;9H-carbazole;9-(6-chloro-9,9-difluorofluoren-3-yl)carbazole;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]carbazole

C111H75BBrCl2F6N9O2 — CID 160979950

About 3-bromo-6-chloro-9,9-difluorofluorene;9H-carbazole;9-(6-chloro-9,9-difluorofluoren-3-yl)carbazole;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]carbazole

3-bromo-6-chloro-9,9-difluorofluorene;9H-carbazole;9-(6-chloro-9,9-difluorofluoren-3-yl)carbazole;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]carbazole (PubChem CID 160979950) has the molecular formula C111H75BBrCl2F6N9O2 and a molecular weight of 1842.49 g/mol. Its IUPAC name is 3-bromo-6-chloro-9,9-difluorofluorene;9H-carbazole;9-(6-chloro-9,9-difluorofluoren-3-yl)carbazole;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]carbazole.

Molecular Properties

• Compound Name: 3-bromo-6-chloro-9,9-difluorofluorene;9H-carbazole;9-(6-chloro-9,9-difluorofluoren-3-yl)carbazole;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]carbazole
• PubChem CID: 160979950
• Molecular Formula: C111H75BBrCl2F6N9O2
• Molecular Weight: 1842.49 g/mol
• Exact Mass: 1839.46
• IUPAC Name: 3-bromo-6-chloro-9,9-difluorofluorene;9H-carbazole;9-(6-chloro-9,9-difluorofluoren-3-yl)carbazole;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]carbazole
• SMILES: CC1(C)OB(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(Br)ccc21.c1ccc2c(c1)[nH]c1ccccc12
• InChI: InChI=1S/C40H24F2N4.C25H14ClF2N.C21H22BN3O2.C13H6BrClF2.C12H9N/c41-40(42)33-21-19-27(39-44-37(25-11-3-1-4-12-25)43-38(45-39)26-13-5-2-6-14-26)23-31(33)32-24-28(20-22-34(32)40)46-35-17-9-7-15-29(35)30-16-8-10-18-36(30)46;26-15-9-11-21-19(13-15)20-14-16(10-12-22(20)25(21,27)28)29-23-7-3-1-5-17(23)18-6-2-4-8-24(18)29;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;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)13(11,16)17;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-24H;1-14H;5-14H,1-4H3;1-6H;1-8,13H
• InChIKey: SZJNFQJIDVPRSC-UHFFFAOYSA-N
• XLogP: 29.70
• TPSA: 121.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1842.49
LogP ≤ 5	29.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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;9H-carbazole;9-(6-chloro-9,9-difluorofluoren-3-yl)carbazole;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]carbazole?

The IUPAC name of 3-bromo-6-chloro-9,9-difluorofluorene;9H-carbazole;9-(6-chloro-9,9-difluorofluoren-3-yl)carbazole;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]carbazole (CID 160979950) is 3-bromo-6-chloro-9,9-difluorofluorene;9H-carbazole;9-(6-chloro-9,9-difluorofluoren-3-yl)carbazole;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]carbazole.

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

The canonical SMILES for 3-bromo-6-chloro-9,9-difluorofluorene;9H-carbazole;9-(6-chloro-9,9-difluorofluoren-3-yl)carbazole;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]carbazole is CC1(C)OB(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(Br)ccc21.c1ccc2c(c1)[nH]c1ccccc12.

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

The InChIKey is SZJNFQJIDVPRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24F2N4.C25H14ClF2N.C21H22BN3O2.C13H6BrClF2.C12H9N/c41-40(42)33-21-19-27(39-44-37(25-11-3-1-4-12-25)43-38(45-39)26-13-5-2-6-14-26)23-31(33)32-24-28(20-22-34(32)40)46-35-17-9-7-15-29(35)30-16-8-10-18-36(30)46;26-15-9-11-21-19(13-15)20-14-16(10-12-22(20)25(21,27)28)29-23-7-3-1-5-17(23)18-6-2-4-8-24(18)29;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;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)13(11,16)17;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-24H;1-14H;5-14H,1-4H3;1-6H;1-8,13H.

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

3-bromo-6-chloro-9,9-difluorofluorene;9H-carbazole;9-(6-chloro-9,9-difluorofluoren-3-yl)carbazole;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]carbazole has a molecular weight of 1842.49 g/mol, XLogP of 29.70, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-chloro-9,9-difluorofluorene;9H-carbazole;9-(6-chloro-9,9-difluorofluoren-3-yl)carbazole;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]carbazole is sourced from PubChem (CID 160979950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).