14-bromo-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;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

C116H78Br3Cl4N15O — CID 161182968

About 14-bromo-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;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

14-bromo-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;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 (PubChem CID 161182968) has the molecular formula C116H78Br3Cl4N15O and a molecular weight of 2079.53 g/mol. Its IUPAC name is 14-bromo-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;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.

Molecular Properties

• Compound Name: 14-bromo-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;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
• PubChem CID: 161182968
• Molecular Formula: C116H78Br3Cl4N15O
• Molecular Weight: 2079.53 g/mol
• Exact Mass: 2073.28
• IUPAC Name: 14-bromo-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;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
• SMILES: Brc1cccn2cc(-c3ccccc3)nc12.Clc1ccc2c(c1)nc(-c1ccccc1)c1ccn3c(Br)c(-c4ccccc4)nc3c12.Clc1ccc2c(c1)nc(-c1ccccc1)c1ccn3cc(-c4ccccc4)nc3c12.Nc1cc(Cl)ccc1-c1cccn2cc(-c3ccccc3)nc12.Nc1ncccc1Br.O=C(Cc1cc(Cl)ccc1-c1cccn2cc(-c3ccccc3)nc12)c1ccccc1
• InChI: InChI=1S/C27H19ClN2O.C26H15BrClN3.C26H16ClN3.C19H14ClN3.C13H9BrN2.C5H5BrN2/c28-22-13-14-23(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;27-25-24(17-9-5-2-6-10-17)30-26-22-19-12-11-18(28)15-21(19)29-23(16-7-3-1-4-8-16)20(22)13-14-31(25)26;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/h1-16,18H,17H2;1-15H;1-16H;1-12H,21H2;1-9H;1-3H,(H2,7,8)
• InChIKey: USSFZAOOMUTZOE-UHFFFAOYSA-N
• XLogP: 31.65
• TPSA: 194.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2079.53
LogP ≤ 5	31.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

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 14-bromo-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;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?

The IUPAC name of 14-bromo-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;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 (CID 161182968) is 14-bromo-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;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.

What is the SMILES notation for 14-bromo-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;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?

The canonical SMILES for 14-bromo-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;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 is Brc1cccn2cc(-c3ccccc3)nc12.Clc1ccc2c(c1)nc(-c1ccccc1)c1ccn3c(Br)c(-c4ccccc4)nc3c12.Clc1ccc2c(c1)nc(-c1ccccc1)c1ccn3cc(-c4ccccc4)nc3c12.Nc1cc(Cl)ccc1-c1cccn2cc(-c3ccccc3)nc12.Nc1ncccc1Br.O=C(Cc1cc(Cl)ccc1-c1cccn2cc(-c3ccccc3)nc12)c1ccccc1.

What is the InChIKey of 14-bromo-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;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?

The InChIKey is USSFZAOOMUTZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN2O.C26H15BrClN3.C26H16ClN3.C19H14ClN3.C13H9BrN2.C5H5BrN2/c28-22-13-14-23(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;27-25-24(17-9-5-2-6-10-17)30-26-22-19-12-11-18(28)15-21(19)29-23(16-7-3-1-4-8-16)20(22)13-14-31(25)26;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/h1-16,18H,17H2;1-15H;1-16H;1-12H,21H2;1-9H;1-3H,(H2,7,8).

What are the key properties of 14-bromo-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;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?

14-bromo-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;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 has a molecular weight of 2079.53 g/mol, XLogP of 31.65, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 14-bromo-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;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 is sourced from PubChem (CID 161182968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).