8-bromo-2-phenylimidazo[1,2-a]pyridine;1-(3-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(3-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene

C122H92BBr4N15O3 — CID 158528923

About 8-bromo-2-phenylimidazo[1,2-a]pyridine;1-(3-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(3-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene

8-bromo-2-phenylimidazo[1,2-a]pyridine;1-(3-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(3-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene (PubChem CID 158528923) has the molecular formula C122H92BBr4N15O3 and a molecular weight of 2146.61 g/mol. Its IUPAC name is 8-bromo-2-phenylimidazo[1,2-a]pyridine;1-(3-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(3-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene.

Molecular Properties

• Compound Name: 8-bromo-2-phenylimidazo[1,2-a]pyridine;1-(3-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(3-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
• PubChem CID: 158528923
• Molecular Formula: C122H92BBr4N15O3
• Molecular Weight: 2146.61 g/mol
• Exact Mass: 2141.43
• IUPAC Name: 8-bromo-2-phenylimidazo[1,2-a]pyridine;1-(3-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(3-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
• SMILES: Brc1cccc(-c2nc3ccccc3c3c2ccn2cc(-c4ccccc4)nc32)c1.Brc1cccn2cc(-c3ccccc3)nc12.CC1(C)OB(c2cccc(-c3nc4ccccc4c4c3ccn3cc(-c5ccccc5)nc43)c2)OC1(C)C.Nc1ccccc1-c1cccn2cc(-c3ccccc3)nc12.Nc1ncccc1Br.O=C(Cc1ccccc1-c1cccn2cc(-c3ccccc3)nc12)c1cccc(Br)c1
• InChI: InChI=1S/C32H28BN3O2.C27H19BrN2O.C26H16BrN3.C19H15N3.C13H9BrN2.C5H5BrN2/c1-31(2)32(3,4)38-33(37-31)23-14-10-13-22(19-23)29-25-17-18-36-20-27(21-11-6-5-7-12-21)35-30(36)28(25)24-15-8-9-16-26(24)34-29;28-22-12-6-11-21(16-22)26(31)17-20-10-4-5-13-23(20)24-14-7-15-30-18-25(29-27(24)30)19-8-2-1-3-9-19;27-19-10-6-9-18(15-19)25-21-13-14-30-16-23(17-7-2-1-3-8-17)29-26(30)24(21)20-11-4-5-12-22(20)28-25;20-17-11-5-4-9-15(17)16-10-6-12-22-13-18(21-19(16)22)14-7-2-1-3-8-14;14-11-7-4-8-16-9-12(15-13(11)16)10-5-2-1-3-6-10;6-4-2-1-3-8-5(4)7/h5-20H,1-4H3;1-16,18H,17H2;1-16H;1-13H,20H2;1-9H;1-3H,(H2,7,8)
• InChIKey: HNCXIYSDJNUJJM-UHFFFAOYSA-N
• XLogP: 30.10
• TPSA: 212.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2146.61
LogP ≤ 5	30.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-phenylimidazo[1,2-a]pyridine;1-(3-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(3-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene?

The IUPAC name of 8-bromo-2-phenylimidazo[1,2-a]pyridine;1-(3-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(3-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene (CID 158528923) is 8-bromo-2-phenylimidazo[1,2-a]pyridine;1-(3-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(3-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene.

What is the SMILES notation for 8-bromo-2-phenylimidazo[1,2-a]pyridine;1-(3-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(3-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene?

The canonical SMILES for 8-bromo-2-phenylimidazo[1,2-a]pyridine;1-(3-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(3-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene is Brc1cccc(-c2nc3ccccc3c3c2ccn2cc(-c4ccccc4)nc32)c1.Brc1cccn2cc(-c3ccccc3)nc12.CC1(C)OB(c2cccc(-c3nc4ccccc4c4c3ccn3cc(-c5ccccc5)nc43)c2)OC1(C)C.Nc1ccccc1-c1cccn2cc(-c3ccccc3)nc12.Nc1ncccc1Br.O=C(Cc1ccccc1-c1cccn2cc(-c3ccccc3)nc12)c1cccc(Br)c1.

What is the InChIKey of 8-bromo-2-phenylimidazo[1,2-a]pyridine;1-(3-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(3-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene?

The InChIKey is HNCXIYSDJNUJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28BN3O2.C27H19BrN2O.C26H16BrN3.C19H15N3.C13H9BrN2.C5H5BrN2/c1-31(2)32(3,4)38-33(37-31)23-14-10-13-22(19-23)29-25-17-18-36-20-27(21-11-6-5-7-12-21)35-30(36)28(25)24-15-8-9-16-26(24)34-29;28-22-12-6-11-21(16-22)26(31)17-20-10-4-5-13-23(20)24-14-7-15-30-18-25(29-27(24)30)19-8-2-1-3-9-19;27-19-10-6-9-18(15-19)25-21-13-14-30-16-23(17-7-2-1-3-8-17)29-26(30)24(21)20-11-4-5-12-22(20)28-25;20-17-11-5-4-9-15(17)16-10-6-12-22-13-18(21-19(16)22)14-7-2-1-3-8-14;14-11-7-4-8-16-9-12(15-13(11)16)10-5-2-1-3-6-10;6-4-2-1-3-8-5(4)7/h5-20H,1-4H3;1-16,18H,17H2;1-16H;1-13H,20H2;1-9H;1-3H,(H2,7,8).

What are the key properties of 8-bromo-2-phenylimidazo[1,2-a]pyridine;1-(3-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(3-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene?

8-bromo-2-phenylimidazo[1,2-a]pyridine;1-(3-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(3-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene has a molecular weight of 2146.61 g/mol, XLogP of 30.10, 13 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-2-phenylimidazo[1,2-a]pyridine;1-(3-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(3-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene is sourced from PubChem (CID 158528923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).