2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazole;5-bromo-N-(2-bromophenyl)pyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;bis(2-(5-bromo-3-pyridinyl)-1,3-benzoxazole);1,3-dibromobenzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tris(4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane)

C₁₄₄H₁₅₆B₈Br₇N₁₁O₂₃ — CID 158247711

About 2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazole;5-bromo-N-(2-bromophenyl)pyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;bis(2-(5-bromo-3-pyridinyl)-1,3-benzoxazole);1,3-dibromobenzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tris(4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane)

2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazole;5-bromo-N-(2-bromophenyl)pyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;bis(2-(5-bromo-3-pyridinyl)-1,3-benzoxazole);1,3-dibromobenzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tris(4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane) (PubChem CID 158247711) has the molecular formula C₁₄₄H₁₅₆B₈Br₇N₁₁O₂₃ and a molecular weight of 3054.71 g/mol. Its IUPAC name is 2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazole;5-bromo-N-(2-bromophenyl)pyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;bis(2-(5-bromo-3-pyridinyl)-1,3-benzoxazole);1,3-dibromobenzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tris(4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane).

Molecular Properties

• Compound Name: 2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazole;5-bromo-N-(2-bromophenyl)pyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;bis(2-(5-bromo-3-pyridinyl)-1,3-benzoxazole);1,3-dibromobenzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tris(4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane)
• PubChem CID: 158247711
• Molecular Formula: C₁₄₄H₁₅₆B₈Br₇N₁₁O₂₃
• Molecular Weight: 3054.71 g/mol
• Exact Mass: 3047.64
• IUPAC Name: 2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazole;5-bromo-N-(2-bromophenyl)pyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;bis(2-(5-bromo-3-pyridinyl)-1,3-benzoxazole);1,3-dibromobenzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tris(4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane)
• SMILES: Brc1cccc(Br)c1.Brc1cncc(-c2nc3ccccc3o2)c1.Brc1cncc(-c2nc3ccccc3o2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)OC1(C)C.CC1(C)OB(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)OC1(C)C.CC1(C)OB(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)OC1(C)C.O=C(Nc1ccccc1Br)c1cncc(Br)c1.O=C(O)c1cncc(Br)c1.c1cc(-c2cncc(-c3nc4ccccc4o3)c2)cc(-c2cncc(-c3nc4ccccc4o3)c2)c1
• InChI: InChI=1S/C30H18N4O2.3C18H28B2O4.C12H24B2O4.C12H8Br2N2O.2C12H7BrN2O.C6H4Br2.C6H4BrNO2/c1-3-10-27-25(8-1)33-29(35-27)23-13-21(15-31-17-23)19-6-5-7-20(12-19)22-14-24(18-32-16-22)30-34-26-9-2-4-11-28(26)36-30;3*1-15(2)16(3,4)22-19(21-15)13-10-9-11-14(12-13)20-23-17(5,6)18(7,8)24-20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-9-5-8(6-15-7-9)12(17)16-11-4-2-1-3-10(11)14;2*13-9-5-8(6-14-7-9)12-15-10-3-1-2-4-11(10)16-12;7-5-2-1-3-6(8)4-5;7-5-1-4(6(9)10)2-8-3-5/h1-18H;3*9-12H,1-8H3;1-8H3;1-7H,(H,16,17);2*1-7H;1-4H;1-3H,(H,9,10)
• InChIKey: GGIGBMRCKBZZLR-UHFFFAOYSA-N
• XLogP: 32.45
• TPSA: 395.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3054.71
LogP ≤ 5	32.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazole;5-bromo-N-(2-bromophenyl)pyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;bis(2-(5-bromo-3-pyridinyl)-1,3-benzoxazole);1,3-dibromobenzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tris(4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane)?

The IUPAC name of 2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazole;5-bromo-N-(2-bromophenyl)pyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;bis(2-(5-bromo-3-pyridinyl)-1,3-benzoxazole);1,3-dibromobenzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tris(4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane) (CID 158247711) is 2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazole;5-bromo-N-(2-bromophenyl)pyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;bis(2-(5-bromo-3-pyridinyl)-1,3-benzoxazole);1,3-dibromobenzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tris(4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane).

What is the SMILES notation for 2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazole;5-bromo-N-(2-bromophenyl)pyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;bis(2-(5-bromo-3-pyridinyl)-1,3-benzoxazole);1,3-dibromobenzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tris(4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane)?

The canonical SMILES for 2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazole;5-bromo-N-(2-bromophenyl)pyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;bis(2-(5-bromo-3-pyridinyl)-1,3-benzoxazole);1,3-dibromobenzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tris(4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane) is Brc1cccc(Br)c1.Brc1cncc(-c2nc3ccccc3o2)c1.Brc1cncc(-c2nc3ccccc3o2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)OC1(C)C.CC1(C)OB(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)OC1(C)C.CC1(C)OB(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)OC1(C)C.O=C(Nc1ccccc1Br)c1cncc(Br)c1.O=C(O)c1cncc(Br)c1.c1cc(-c2cncc(-c3nc4ccccc4o3)c2)cc(-c2cncc(-c3nc4ccccc4o3)c2)c1.

What is the InChIKey of 2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazole;5-bromo-N-(2-bromophenyl)pyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;bis(2-(5-bromo-3-pyridinyl)-1,3-benzoxazole);1,3-dibromobenzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tris(4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane)?

The InChIKey is GGIGBMRCKBZZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N4O2.3C18H28B2O4.C12H24B2O4.C12H8Br2N2O.2C12H7BrN2O.C6H4Br2.C6H4BrNO2/c1-3-10-27-25(8-1)33-29(35-27)23-13-21(15-31-17-23)19-6-5-7-20(12-19)22-14-24(18-32-16-22)30-34-26-9-2-4-11-28(26)36-30;3*1-15(2)16(3,4)22-19(21-15)13-10-9-11-14(12-13)20-23-17(5,6)18(7,8)24-20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-9-5-8(6-15-7-9)12(17)16-11-4-2-1-3-10(11)14;2*13-9-5-8(6-14-7-9)12-15-10-3-1-2-4-11(10)16-12;7-5-2-1-3-6(8)4-5;7-5-1-4(6(9)10)2-8-3-5/h1-18H;3*9-12H,1-8H3;1-8H3;1-7H,(H,16,17);2*1-7H;1-4H;1-3H,(H,9,10).

What are the key properties of 2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazole;5-bromo-N-(2-bromophenyl)pyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;bis(2-(5-bromo-3-pyridinyl)-1,3-benzoxazole);1,3-dibromobenzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tris(4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane)?

2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazole;5-bromo-N-(2-bromophenyl)pyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;bis(2-(5-bromo-3-pyridinyl)-1,3-benzoxazole);1,3-dibromobenzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tris(4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane) has a molecular weight of 3054.71 g/mol, XLogP of 32.45, 16 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazole;5-bromo-N-(2-bromophenyl)pyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;bis(2-(5-bromo-3-pyridinyl)-1,3-benzoxazole);1,3-dibromobenzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tris(4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane) is sourced from PubChem (CID 158247711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158247711 — identifiers, structure, computed properties (public domain)

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