2-bromo-1-naphthalen-2-ylethanone;2-(4-bromophenyl)-4,6-dinaphthalen-2-ylpyrimidine;deuterium monohydride;4,6-dinaphthalen-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;ethanol;methane;2-naphthalen-2-ylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C117H121B3Br2N8O8 — CID 158374956

About 2-bromo-1-naphthalen-2-ylethanone;2-(4-bromophenyl)-4,6-dinaphthalen-2-ylpyrimidine;deuterium monohydride;4,6-dinaphthalen-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;ethanol;methane;2-naphthalen-2-ylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-bromo-1-naphthalen-2-ylethanone;2-(4-bromophenyl)-4,6-dinaphthalen-2-ylpyrimidine;deuterium monohydride;4,6-dinaphthalen-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;ethanol;methane;2-naphthalen-2-ylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158374956) has the molecular formula C117H121B3Br2N8O8 and a molecular weight of 1960.55 g/mol. Its IUPAC name is 2-bromo-1-naphthalen-2-ylethanone;2-(4-bromophenyl)-4,6-dinaphthalen-2-ylpyrimidine;deuterium monohydride;4,6-dinaphthalen-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;ethanol;methane;2-naphthalen-2-ylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-bromo-1-naphthalen-2-ylethanone;2-(4-bromophenyl)-4,6-dinaphthalen-2-ylpyrimidine;deuterium monohydride;4,6-dinaphthalen-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;ethanol;methane;2-naphthalen-2-ylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158374956
• Molecular Formula: C117H121B3Br2N8O8
• Molecular Weight: 1960.55 g/mol
• Exact Mass: 1957.80
• IUPAC Name: 2-bromo-1-naphthalen-2-ylethanone;2-(4-bromophenyl)-4,6-dinaphthalen-2-ylpyrimidine;deuterium monohydride;4,6-dinaphthalen-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;ethanol;methane;2-naphthalen-2-ylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc(-c2nc(-c3ccc4ccccc4c3)cc(-c3ccc4ccccc4c3)n2)cc1.C.C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)n3)cc2)OC1(C)C.CCO.Nc1ccccn1.O=C(CBr)c1ccc2ccccc2c1.[H][2H].c1ccc2cc(-c3cn4ccccc4n3)ccc2c1
• InChI: InChI=1S/C36H31BN2O2.C30H19BrN2.C17H12N2.C12H24B2O4.C12H9BrO.C5H6N2.C2H6O.3CH4.H2/c1-35(2)36(3,4)41-37(40-35)31-19-17-26(18-20-31)34-38-32(29-15-13-24-9-5-7-11-27(24)21-29)23-33(39-34)30-16-14-25-10-6-8-12-28(25)22-30;31-27-15-13-22(14-16-27)30-32-28(25-11-9-20-5-1-3-7-23(20)17-25)19-29(33-30)26-12-10-21-6-2-4-8-24(21)18-26;1-2-6-14-11-15(9-8-13(14)5-1)16-12-19-10-4-3-7-17(19)18-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11;6-5-3-1-2-4-7-5;1-2-3;;;;/h5-23H,1-4H3;1-19H;1-12H;1-8H3;1-7H,8H2;1-4H,(H2,6,7);3H,2H2,1H3;3*1H4;1H/i;;;;;;;;;;1+1
• InChIKey: GVBOHNZAEXCKAZ-PSZXADNCSA-N
• XLogP: 29.27
• TPSA: 200.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1960.55
LogP ≤ 5	29.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-naphthalen-2-ylethanone;2-(4-bromophenyl)-4,6-dinaphthalen-2-ylpyrimidine;deuterium monohydride;4,6-dinaphthalen-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;ethanol;methane;2-naphthalen-2-ylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 2-bromo-1-naphthalen-2-ylethanone;2-(4-bromophenyl)-4,6-dinaphthalen-2-ylpyrimidine;deuterium monohydride;4,6-dinaphthalen-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;ethanol;methane;2-naphthalen-2-ylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158374956) is 2-bromo-1-naphthalen-2-ylethanone;2-(4-bromophenyl)-4,6-dinaphthalen-2-ylpyrimidine;deuterium monohydride;4,6-dinaphthalen-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;ethanol;methane;2-naphthalen-2-ylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 2-bromo-1-naphthalen-2-ylethanone;2-(4-bromophenyl)-4,6-dinaphthalen-2-ylpyrimidine;deuterium monohydride;4,6-dinaphthalen-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;ethanol;methane;2-naphthalen-2-ylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 2-bromo-1-naphthalen-2-ylethanone;2-(4-bromophenyl)-4,6-dinaphthalen-2-ylpyrimidine;deuterium monohydride;4,6-dinaphthalen-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;ethanol;methane;2-naphthalen-2-ylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(-c2nc(-c3ccc4ccccc4c3)cc(-c3ccc4ccccc4c3)n2)cc1.C.C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)n3)cc2)OC1(C)C.CCO.Nc1ccccn1.O=C(CBr)c1ccc2ccccc2c1.[H][2H].c1ccc2cc(-c3cn4ccccc4n3)ccc2c1.

What is the InChIKey of 2-bromo-1-naphthalen-2-ylethanone;2-(4-bromophenyl)-4,6-dinaphthalen-2-ylpyrimidine;deuterium monohydride;4,6-dinaphthalen-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;ethanol;methane;2-naphthalen-2-ylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is GVBOHNZAEXCKAZ-PSZXADNCSA-N. The full InChI is InChI=1S/C36H31BN2O2.C30H19BrN2.C17H12N2.C12H24B2O4.C12H9BrO.C5H6N2.C2H6O.3CH4.H2/c1-35(2)36(3,4)41-37(40-35)31-19-17-26(18-20-31)34-38-32(29-15-13-24-9-5-7-11-27(24)21-29)23-33(39-34)30-16-14-25-10-6-8-12-28(25)22-30;31-27-15-13-22(14-16-27)30-32-28(25-11-9-20-5-1-3-7-23(20)17-25)19-29(33-30)26-12-10-21-6-2-4-8-24(21)18-26;1-2-6-14-11-15(9-8-13(14)5-1)16-12-19-10-4-3-7-17(19)18-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11;6-5-3-1-2-4-7-5;1-2-3;;;;/h5-23H,1-4H3;1-19H;1-12H;1-8H3;1-7H,8H2;1-4H,(H2,6,7);3H,2H2,1H3;3*1H4;1H/i;;;;;;;;;;1+1.

What are the key properties of 2-bromo-1-naphthalen-2-ylethanone;2-(4-bromophenyl)-4,6-dinaphthalen-2-ylpyrimidine;deuterium monohydride;4,6-dinaphthalen-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;ethanol;methane;2-naphthalen-2-ylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

2-bromo-1-naphthalen-2-ylethanone;2-(4-bromophenyl)-4,6-dinaphthalen-2-ylpyrimidine;deuterium monohydride;4,6-dinaphthalen-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;ethanol;methane;2-naphthalen-2-ylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1960.55 g/mol, XLogP of 29.27, 11 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-naphthalen-2-ylethanone;2-(4-bromophenyl)-4,6-dinaphthalen-2-ylpyrimidine;deuterium monohydride;4,6-dinaphthalen-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;ethanol;methane;2-naphthalen-2-ylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158374956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).