8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;4-chloro-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene;4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene

C137H93Br2Cl3N18O — CID 159055557

About 8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;4-chloro-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene;4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene

8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;4-chloro-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene;4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene (PubChem CID 159055557) has the molecular formula C137H93Br2Cl3N18O and a molecular weight of 2273.54 g/mol. Its IUPAC name is 8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;4-chloro-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene;4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene.

Molecular Properties

• Compound Name: 8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;4-chloro-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene;4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene
• PubChem CID: 159055557
• Molecular Formula: C137H93Br2Cl3N18O
• Molecular Weight: 2273.54 g/mol
• Exact Mass: 2268.52
• IUPAC Name: 8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;4-chloro-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene;4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene
• SMILES: Brc1cccn2cc(-c3ccccc3)nc12.Clc1ccc2nc(-c3ccccc3)c3ccn4cc(-c5ccccc5)nc4c3c2c1.Nc1ccc(Cl)cc1-c1cccn2cc(-c3ccccc3)nc12.Nc1ncccc1Br.O=C(Cc1ccc(Cl)cc1-c1cccn2cc(-c3ccccc3)nc12)c1ccccc1.c1ccc(-c2cn3ccc4c(-c5ccccc5)nc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5c4c3n2)cc1
• InChI: InChI=1S/C47H30N6.C27H19ClN2O.C26H16ClN3.C19H14ClN3.C13H9BrN2.C5H5BrN2/c1-5-13-32(14-6-1)41-30-53-28-27-38-42(47(53)49-41)39-29-37(25-26-40(39)48-43(38)33-15-7-2-8-16-33)31-21-23-36(24-22-31)46-51-44(34-17-9-3-10-18-34)50-45(52-46)35-19-11-4-12-20-35;28-22-14-13-21(16-26(31)20-10-5-2-6-11-20)24(17-22)23-12-7-15-30-18-25(29-27(23)30)19-8-3-1-4-9-19;27-19-11-12-22-21(15-19)24-20(25(28-22)18-9-5-2-6-10-18)13-14-30-16-23(29-26(24)30)17-7-3-1-4-8-17;20-14-8-9-17(21)16(11-14)15-7-4-10-23-12-18(22-19(15)23)13-5-2-1-3-6-13;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/h1-30H;1-15,17-18H,16H2;1-16H;1-12H,21H2;1-9H;1-3H,(H2,7,8)
• InChIKey: JXUSVZFEFCXJQC-UHFFFAOYSA-N
• XLogP: 35.09
• TPSA: 232.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2273.54
LogP ≤ 5	35.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', '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;3-bromopyridin-2-amine;4-chloro-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene;4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene?

The IUPAC name of 8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;4-chloro-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene;4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene (CID 159055557) is 8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;4-chloro-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene;4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene.

What is the SMILES notation for 8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;4-chloro-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene;4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene?

The canonical SMILES for 8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;4-chloro-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene;4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene is Brc1cccn2cc(-c3ccccc3)nc12.Clc1ccc2nc(-c3ccccc3)c3ccn4cc(-c5ccccc5)nc4c3c2c1.Nc1ccc(Cl)cc1-c1cccn2cc(-c3ccccc3)nc12.Nc1ncccc1Br.O=C(Cc1ccc(Cl)cc1-c1cccn2cc(-c3ccccc3)nc12)c1ccccc1.c1ccc(-c2cn3ccc4c(-c5ccccc5)nc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5c4c3n2)cc1.

What is the InChIKey of 8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;4-chloro-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene;4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene?

The InChIKey is JXUSVZFEFCXJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N6.C27H19ClN2O.C26H16ClN3.C19H14ClN3.C13H9BrN2.C5H5BrN2/c1-5-13-32(14-6-1)41-30-53-28-27-38-42(47(53)49-41)39-29-37(25-26-40(39)48-43(38)33-15-7-2-8-16-33)31-21-23-36(24-22-31)46-51-44(34-17-9-3-10-18-34)50-45(52-46)35-19-11-4-12-20-35;28-22-14-13-21(16-26(31)20-10-5-2-6-11-20)24(17-22)23-12-7-15-30-18-25(29-27(23)30)19-8-3-1-4-9-19;27-19-11-12-22-21(15-19)24-20(25(28-22)18-9-5-2-6-10-18)13-14-30-16-23(29-26(24)30)17-7-3-1-4-8-17;20-14-8-9-17(21)16(11-14)15-7-4-10-23-12-18(22-19(15)23)13-5-2-1-3-6-13;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/h1-30H;1-15,17-18H,16H2;1-16H;1-12H,21H2;1-9H;1-3H,(H2,7,8).

What are the key properties of 8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;4-chloro-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene;4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene?

8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;4-chloro-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene;4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene has a molecular weight of 2273.54 g/mol, XLogP of 35.09, 16 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;4-chloro-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene;4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[4-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene is sourced from PubChem (CID 159055557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).