dipotassium;sodium;3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-bromo-9H-fluorene;1-bromo-4-phenylbenzene;3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-chloro-4,6-diphenyl-1,3,5-triazine;deuterio(fluoro)methane;2-(9H-fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride

C126H97BBr3ClFK2N12NaO2 — CID 158296938

About dipotassium;sodium;3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-bromo-9H-fluorene;1-bromo-4-phenylbenzene;3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-chloro-4,6-diphenyl-1,3,5-triazine;deuterio(fluoro)methane;2-(9H-fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride

dipotassium;sodium;3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-bromo-9H-fluorene;1-bromo-4-phenylbenzene;3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-chloro-4,6-diphenyl-1,3,5-triazine;deuterio(fluoro)methane;2-(9H-fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride (PubChem CID 158296938) has the molecular formula C126H97BBr3ClFK2N12NaO2 and a molecular weight of 2218.41 g/mol. Its IUPAC name is dipotassium;sodium;3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-bromo-9H-fluorene;1-bromo-4-phenylbenzene;3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-chloro-4,6-diphenyl-1,3,5-triazine;deuterio(fluoro)methane;2-(9H-fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride.

Molecular Properties

• Compound Name: dipotassium;sodium;3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-bromo-9H-fluorene;1-bromo-4-phenylbenzene;3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-chloro-4,6-diphenyl-1,3,5-triazine;deuterio(fluoro)methane;2-(9H-fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride
• PubChem CID: 158296938
• Molecular Formula: C126H97BBr3ClFK2N12NaO2
• Molecular Weight: 2218.41 g/mol
• Exact Mass: 2213.44
• IUPAC Name: dipotassium;sodium;3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-bromo-9H-fluorene;1-bromo-4-phenylbenzene;3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-chloro-4,6-diphenyl-1,3,5-triazine;deuterio(fluoro)methane;2-(9H-fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride
• SMILES: Brc1ccc(-c2ccccc2)cc1.Brc1ccc2c(c1)-c1ccccc1C2.Brc1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.CC1(C)OB(c2ccc3c(c2)-c2ccccc2C3)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.[2H]CF.[H-].[H-].[H-].[K+].[K+].[Na+].c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6[nH]c7ccccc7c6c5)ccc43)n2)cc1
• InChI: InChI=1S/C39H25N5.C27H17BrN4.C19H21BO2.C15H10ClN3.C13H9Br.C12H9Br.CH3F.2K.Na.3H/c1-3-11-25(12-4-1)37-41-38(26-13-5-2-6-14-26)43-39(42-37)44-35-18-10-8-16-30(35)32-24-28(20-22-36(32)44)27-19-21-34-31(23-27)29-15-7-9-17-33(29)40-34;28-20-15-16-24-22(17-20)21-13-7-8-14-23(21)32(24)27-30-25(18-9-3-1-4-10-18)29-26(31-27)19-11-5-2-6-12-19;1-18(2)19(3,4)22-20(21-18)15-10-9-14-11-13-7-5-6-8-16(13)17(14)12-15;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2;;;;;;/h1-24,40H;1-17H;5-10,12H,11H2,1-4H3;1-10H;1-6,8H,7H2;1-9H;1H3;;;;;;/q;;;;;;;3*+1;3*-1/i;;;;;;1D
• InChIKey: XJRZKSGZASIKBF-KJPPYSQNSA-N
• XLogP: 24.16
• TPSA: 160.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2218.41
LogP ≤ 5	24.16
H-Bond Donors ≤ 5	1
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 dipotassium;sodium;3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-bromo-9H-fluorene;1-bromo-4-phenylbenzene;3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-chloro-4,6-diphenyl-1,3,5-triazine;deuterio(fluoro)methane;2-(9H-fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride?

The IUPAC name of dipotassium;sodium;3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-bromo-9H-fluorene;1-bromo-4-phenylbenzene;3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-chloro-4,6-diphenyl-1,3,5-triazine;deuterio(fluoro)methane;2-(9H-fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride (CID 158296938) is dipotassium;sodium;3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-bromo-9H-fluorene;1-bromo-4-phenylbenzene;3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-chloro-4,6-diphenyl-1,3,5-triazine;deuterio(fluoro)methane;2-(9H-fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride.

What is the SMILES notation for dipotassium;sodium;3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-bromo-9H-fluorene;1-bromo-4-phenylbenzene;3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-chloro-4,6-diphenyl-1,3,5-triazine;deuterio(fluoro)methane;2-(9H-fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride?

The canonical SMILES for dipotassium;sodium;3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-bromo-9H-fluorene;1-bromo-4-phenylbenzene;3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-chloro-4,6-diphenyl-1,3,5-triazine;deuterio(fluoro)methane;2-(9H-fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride is Brc1ccc(-c2ccccc2)cc1.Brc1ccc2c(c1)-c1ccccc1C2.Brc1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.CC1(C)OB(c2ccc3c(c2)-c2ccccc2C3)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.[2H]CF.[H-].[H-].[H-].[K+].[K+].[Na+].c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6[nH]c7ccccc7c6c5)ccc43)n2)cc1.

What is the InChIKey of dipotassium;sodium;3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-bromo-9H-fluorene;1-bromo-4-phenylbenzene;3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-chloro-4,6-diphenyl-1,3,5-triazine;deuterio(fluoro)methane;2-(9H-fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride?

The InChIKey is XJRZKSGZASIKBF-KJPPYSQNSA-N. The full InChI is InChI=1S/C39H25N5.C27H17BrN4.C19H21BO2.C15H10ClN3.C13H9Br.C12H9Br.CH3F.2K.Na.3H/c1-3-11-25(12-4-1)37-41-38(26-13-5-2-6-14-26)43-39(42-37)44-35-18-10-8-16-30(35)32-24-28(20-22-36(32)44)27-19-21-34-31(23-27)29-15-7-9-17-33(29)40-34;28-20-15-16-24-22(17-20)21-13-7-8-14-23(21)32(24)27-30-25(18-9-3-1-4-10-18)29-26(31-27)19-11-5-2-6-12-19;1-18(2)19(3,4)22-20(21-18)15-10-9-14-11-13-7-5-6-8-16(13)17(14)12-15;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2;;;;;;/h1-24,40H;1-17H;5-10,12H,11H2,1-4H3;1-10H;1-6,8H,7H2;1-9H;1H3;;;;;;/q;;;;;;;3*+1;3*-1/i;;;;;;1D;;;;;;.

What are the key properties of dipotassium;sodium;3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-bromo-9H-fluorene;1-bromo-4-phenylbenzene;3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-chloro-4,6-diphenyl-1,3,5-triazine;deuterio(fluoro)methane;2-(9H-fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride?

dipotassium;sodium;3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-bromo-9H-fluorene;1-bromo-4-phenylbenzene;3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-chloro-4,6-diphenyl-1,3,5-triazine;deuterio(fluoro)methane;2-(9H-fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride has a molecular weight of 2218.41 g/mol, XLogP of 24.16, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;sodium;3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-bromo-9H-fluorene;1-bromo-4-phenylbenzene;3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-chloro-4,6-diphenyl-1,3,5-triazine;deuterio(fluoro)methane;2-(9H-fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride is sourced from PubChem (CID 158296938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).