sodium;3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-bromo-9H-fluorene;2-chloro-4,6-diphenylpyrimidine;deuterio(fluoro)methane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;hydride;methane;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C130H104BBr2ClFN10NaO2 — CID 157055950

About sodium;3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-bromo-9H-fluorene;2-chloro-4,6-diphenylpyrimidine;deuterio(fluoro)methane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;hydride;methane;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

sodium;3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-bromo-9H-fluorene;2-chloro-4,6-diphenylpyrimidine;deuterio(fluoro)methane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;hydride;methane;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 157055950) has the molecular formula C130H104BBr2ClFN10NaO2 and a molecular weight of 2087.40 g/mol. Its IUPAC name is sodium;3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-bromo-9H-fluorene;2-chloro-4,6-diphenylpyrimidine;deuterio(fluoro)methane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;hydride;methane;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

• Compound Name: sodium;3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-bromo-9H-fluorene;2-chloro-4,6-diphenylpyrimidine;deuterio(fluoro)methane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;hydride;methane;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
• PubChem CID: 157055950
• Molecular Formula: C130H104BBr2ClFN10NaO2
• Molecular Weight: 2087.40 g/mol
• Exact Mass: 2083.64
• IUPAC Name: sodium;3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-bromo-9H-fluorene;2-chloro-4,6-diphenylpyrimidine;deuterio(fluoro)methane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;hydride;methane;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
• SMILES: Brc1ccc2c(c1)-c1ccccc1C2.Brc1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.C.C.CC1(C)OB(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)OC1(C)C.Clc1nc(-c2ccccc2)cc(-c2ccccc2)n1.[2H]CF.[H-].[Na+].c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1
• InChI: InChI=1S/C46H30N4.C28H18BrN3.C24H24BNO2.C16H11ClN2.C13H9Br.CH3F.2CH4.Na.H/c1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-11-21-37(43)39-28-33(25-27-44(39)50)34-24-26-38-36-20-10-12-22-42(36)49(45(38)29-34)35-18-8-3-9-19-35;29-21-15-16-27-23(17-21)22-13-7-8-14-26(22)32(27)28-30-24(19-9-3-1-4-10-19)18-25(31-28)20-11-5-2-6-12-20;1-23(2)24(3,4)28-25(27-23)17-14-15-20-19-12-8-9-13-21(19)26(22(20)16-17)18-10-6-5-7-11-18;17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;1-2;;;;/h1-30H;1-18H;5-16H,1-4H3;1-11H;1-6,8H,7H2;1H3;2*1H4;;/q;;;;;;;;+1;-1/i;;;;;1D
• InChIKey: OMOVCOISCOBBKA-GOOKBYQXSA-N
• XLogP: 31.88
• TPSA: 115.52 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2087.40
LogP ≤ 5	31.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-bromo-9H-fluorene;2-chloro-4,6-diphenylpyrimidine;deuterio(fluoro)methane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;hydride;methane;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?

The IUPAC name of sodium;3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-bromo-9H-fluorene;2-chloro-4,6-diphenylpyrimidine;deuterio(fluoro)methane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;hydride;methane;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 157055950) is sodium;3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-bromo-9H-fluorene;2-chloro-4,6-diphenylpyrimidine;deuterio(fluoro)methane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;hydride;methane;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

What is the SMILES notation for sodium;3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-bromo-9H-fluorene;2-chloro-4,6-diphenylpyrimidine;deuterio(fluoro)methane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;hydride;methane;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?

The canonical SMILES for sodium;3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-bromo-9H-fluorene;2-chloro-4,6-diphenylpyrimidine;deuterio(fluoro)methane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;hydride;methane;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is Brc1ccc2c(c1)-c1ccccc1C2.Brc1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.C.C.CC1(C)OB(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)OC1(C)C.Clc1nc(-c2ccccc2)cc(-c2ccccc2)n1.[2H]CF.[H-].[Na+].c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1.

What is the InChIKey of sodium;3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-bromo-9H-fluorene;2-chloro-4,6-diphenylpyrimidine;deuterio(fluoro)methane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;hydride;methane;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?

The InChIKey is OMOVCOISCOBBKA-GOOKBYQXSA-N. The full InChI is InChI=1S/C46H30N4.C28H18BrN3.C24H24BNO2.C16H11ClN2.C13H9Br.CH3F.2CH4.Na.H/c1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-11-21-37(43)39-28-33(25-27-44(39)50)34-24-26-38-36-20-10-12-22-42(36)49(45(38)29-34)35-18-8-3-9-19-35;29-21-15-16-27-23(17-21)22-13-7-8-14-26(22)32(27)28-30-24(19-9-3-1-4-10-19)18-25(31-28)20-11-5-2-6-12-20;1-23(2)24(3,4)28-25(27-23)17-14-15-20-19-12-8-9-13-21(19)26(22(20)16-17)18-10-6-5-7-11-18;17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;1-2;;;;/h1-30H;1-18H;5-16H,1-4H3;1-11H;1-6,8H,7H2;1H3;2*1H4;;/q;;;;;;;;+1;-1/i;;;;;1D;;;;.

What are the key properties of sodium;3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-bromo-9H-fluorene;2-chloro-4,6-diphenylpyrimidine;deuterio(fluoro)methane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;hydride;methane;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?

sodium;3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-bromo-9H-fluorene;2-chloro-4,6-diphenylpyrimidine;deuterio(fluoro)methane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;hydride;methane;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 2087.40 g/mol, XLogP of 31.88, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-bromo-9H-fluorene;2-chloro-4,6-diphenylpyrimidine;deuterio(fluoro)methane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;hydride;methane;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 157055950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).