8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;5-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;5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;5-[4-(2,6-diphenylpyrimidin-4-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

C138H94Br2Cl3N17O — CID 157174467

About 8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;5-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;5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;5-[4-(2,6-diphenylpyrimidin-4-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;5-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;5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;5-[4-(2,6-diphenylpyrimidin-4-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 157174467) has the molecular formula C138H94Br2Cl3N17O and a molecular weight of 2272.55 g/mol. Its IUPAC name is 8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;5-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;5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;5-[4-(2,6-diphenylpyrimidin-4-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;5-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;5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;5-[4-(2,6-diphenylpyrimidin-4-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: 157174467
• Molecular Formula: C138H94Br2Cl3N17O
• Molecular Weight: 2272.55 g/mol
• Exact Mass: 2267.53
• IUPAC Name: 8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;5-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;5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;5-[4-(2,6-diphenylpyrimidin-4-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.Clc1ccc2c(c1)nc(-c1ccccc1)c1ccn3cc(-c4ccccc4)nc3c12.Nc1cc(Cl)ccc1-c1cccn2cc(-c3ccccc3)nc12.Nc1ncccc1Br.O=C(Cc1cc(Cl)ccc1-c1cccn2cc(-c3ccccc3)nc12)c1ccccc1.c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccn6cc(-c7ccccc7)nc6c45)cc3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C48H31N5.C27H19ClN2O.C26H16ClN3.C19H14ClN3.C13H9BrN2.C5H5BrN2/c1-5-13-33(14-6-1)41-30-42(51-47(50-41)37-19-11-4-12-20-37)35-23-21-32(22-24-35)38-25-26-39-43(29-38)49-46(36-17-9-3-10-18-36)40-27-28-53-31-44(52-48(53)45(39)40)34-15-7-2-8-16-34;28-22-13-14-23(21(16-22)17-26(31)20-10-5-2-6-11-20)24-12-7-15-30-18-25(29-27(24)30)19-8-3-1-4-9-19;27-19-11-12-20-22(15-19)28-25(18-9-5-2-6-10-18)21-13-14-30-16-23(29-26(30)24(20)21)17-7-3-1-4-8-17;20-14-8-9-15(17(21)11-14)16-7-4-10-23-12-18(22-19(16)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/h1-31H;1-16,18H,17H2;1-16H;1-12H,21H2;1-9H;1-3H,(H2,7,8)
• InChIKey: ANVQZGZKIKVESB-UHFFFAOYSA-N
• XLogP: 35.69
• TPSA: 220.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2272.55
LogP ≤ 5	35.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

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;5-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;5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;5-[4-(2,6-diphenylpyrimidin-4-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;5-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;5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;5-[4-(2,6-diphenylpyrimidin-4-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 157174467) is 8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;5-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;5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;5-[4-(2,6-diphenylpyrimidin-4-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;5-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;5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;5-[4-(2,6-diphenylpyrimidin-4-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;5-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;5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;5-[4-(2,6-diphenylpyrimidin-4-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.Clc1ccc2c(c1)nc(-c1ccccc1)c1ccn3cc(-c4ccccc4)nc3c12.Nc1cc(Cl)ccc1-c1cccn2cc(-c3ccccc3)nc12.Nc1ncccc1Br.O=C(Cc1cc(Cl)ccc1-c1cccn2cc(-c3ccccc3)nc12)c1ccccc1.c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccn6cc(-c7ccccc7)nc6c45)cc3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 8-bromo-2-phenylimidazo[1,2-a]pyridine;3-bromopyridin-2-amine;5-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;5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;5-[4-(2,6-diphenylpyrimidin-4-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 ANVQZGZKIKVESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N5.C27H19ClN2O.C26H16ClN3.C19H14ClN3.C13H9BrN2.C5H5BrN2/c1-5-13-33(14-6-1)41-30-42(51-47(50-41)37-19-11-4-12-20-37)35-23-21-32(22-24-35)38-25-26-39-43(29-38)49-46(36-17-9-3-10-18-36)40-27-28-53-31-44(52-48(53)45(39)40)34-15-7-2-8-16-34;28-22-13-14-23(21(16-22)17-26(31)20-10-5-2-6-11-20)24-12-7-15-30-18-25(29-27(24)30)19-8-3-1-4-9-19;27-19-11-12-20-22(15-19)28-25(18-9-5-2-6-10-18)21-13-14-30-16-23(29-26(30)24(20)21)17-7-3-1-4-8-17;20-14-8-9-15(17(21)11-14)16-7-4-10-23-12-18(22-19(16)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/h1-31H;1-16,18H,17H2;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;5-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;5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;5-[4-(2,6-diphenylpyrimidin-4-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;5-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;5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;5-[4-(2,6-diphenylpyrimidin-4-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 2272.55 g/mol, XLogP of 35.69, 16 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;3-bromopyridin-2-amine;5-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;5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;2-[5-chloro-2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]-1-phenylethanone;5-[4-(2,6-diphenylpyrimidin-4-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 157174467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).