5-bromo-2-iodopyridine;2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N,N-diphenyl-4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]aniline;1-phenyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzimidazole

C99H75BBr2IN13O2 — CID 157054879

About 5-bromo-2-iodopyridine;2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N,N-diphenyl-4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]aniline;1-phenyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzimidazole

5-bromo-2-iodopyridine;2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N,N-diphenyl-4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]aniline;1-phenyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzimidazole (PubChem CID 157054879) has the molecular formula C99H75BBr2IN13O2 and a molecular weight of 1776.30 g/mol. Its IUPAC name is 5-bromo-2-iodopyridine;2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N,N-diphenyl-4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]aniline;1-phenyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzimidazole.

Molecular Properties

• Compound Name: 5-bromo-2-iodopyridine;2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N,N-diphenyl-4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]aniline;1-phenyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzimidazole
• PubChem CID: 157054879
• Molecular Formula: C99H75BBr2IN13O2
• Molecular Weight: 1776.30 g/mol
• Exact Mass: 1773.37
• IUPAC Name: 5-bromo-2-iodopyridine;2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N,N-diphenyl-4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]aniline;1-phenyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzimidazole
• SMILES: Brc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)nc2)nc1.Brc1ccc(I)nc1.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccccc3)nc2)OC1(C)C.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)nc5)nc4)cc3)cc2)cc1
• InChI: InChI=1S/C47H33N5.C24H24BN3O2.C23H15BrN4.C5H3BrIN/c1-4-12-39(13-5-1)51(40-14-6-2-7-15-40)42-28-24-35(25-29-42)34-20-22-36(23-21-34)37-26-30-43(48-32-37)38-27-31-45(49-33-38)47-50-44-18-10-11-19-46(44)52(47)41-16-8-3-9-17-41;1-23(2)24(3,4)30-25(29-23)17-14-15-20(26-16-17)22-27-19-12-8-9-13-21(19)28(22)18-10-6-5-7-11-18;24-17-11-13-19(26-15-17)16-10-12-21(25-14-16)23-27-20-8-4-5-9-22(20)28(23)18-6-2-1-3-7-18;6-4-1-2-5(7)8-3-4/h1-33H;5-16H,1-4H3;1-15H;1-3H
• InChIKey: AAQBZBWIHQEJOO-UHFFFAOYSA-N
• XLogP: 24.70
• TPSA: 152.50 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1776.30
LogP ≤ 5	24.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodopyridine;2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N,N-diphenyl-4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]aniline;1-phenyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzimidazole?

The IUPAC name of 5-bromo-2-iodopyridine;2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N,N-diphenyl-4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]aniline;1-phenyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzimidazole (CID 157054879) is 5-bromo-2-iodopyridine;2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N,N-diphenyl-4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]aniline;1-phenyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzimidazole.

What is the SMILES notation for 5-bromo-2-iodopyridine;2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N,N-diphenyl-4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]aniline;1-phenyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzimidazole?

The canonical SMILES for 5-bromo-2-iodopyridine;2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N,N-diphenyl-4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]aniline;1-phenyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzimidazole is Brc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)nc2)nc1.Brc1ccc(I)nc1.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccccc3)nc2)OC1(C)C.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)nc5)nc4)cc3)cc2)cc1.

What is the InChIKey of 5-bromo-2-iodopyridine;2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N,N-diphenyl-4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]aniline;1-phenyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzimidazole?

The InChIKey is AAQBZBWIHQEJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N5.C24H24BN3O2.C23H15BrN4.C5H3BrIN/c1-4-12-39(13-5-1)51(40-14-6-2-7-15-40)42-28-24-35(25-29-42)34-20-22-36(23-21-34)37-26-30-43(48-32-37)38-27-31-45(49-33-38)47-50-44-18-10-11-19-46(44)52(47)41-16-8-3-9-17-41;1-23(2)24(3,4)30-25(29-23)17-14-15-20(26-16-17)22-27-19-12-8-9-13-21(19)28(22)18-10-6-5-7-11-18;24-17-11-13-19(26-15-17)16-10-12-21(25-14-16)23-27-20-8-4-5-9-22(20)28(23)18-6-2-1-3-7-18;6-4-1-2-5(7)8-3-4/h1-33H;5-16H,1-4H3;1-15H;1-3H.

What are the key properties of 5-bromo-2-iodopyridine;2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N,N-diphenyl-4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]aniline;1-phenyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzimidazole?

5-bromo-2-iodopyridine;2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N,N-diphenyl-4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]aniline;1-phenyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzimidazole has a molecular weight of 1776.30 g/mol, XLogP of 24.70, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-iodopyridine;2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N,N-diphenyl-4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]aniline;1-phenyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzimidazole is sourced from PubChem (CID 157054879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).