5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone

C124H78Br3FN18O3S — CID 158892897

About 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone

5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone (PubChem CID 158892897) has the molecular formula C124H78Br3FN18O3S and a molecular weight of 2158.89 g/mol. Its IUPAC name is 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone.

Molecular Properties

• Compound Name: 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone
• PubChem CID: 158892897
• Molecular Formula: C124H78Br3FN18O3S
• Molecular Weight: 2158.89 g/mol
• Exact Mass: 2154.38
• IUPAC Name: 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone
• SMILES: Brc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.CC(=O)c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1.Fc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.O=[N+]([O-])c1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.S=C(Nc1ccccc1)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1
• InChI: InChI=1S/C30H20BrN5S.C25H17N3O.C23H13Br2N3.C23H14FN3.C23H14N4O2/c31-17-10-13-26-23(14-17)25(16-32-26)29-35-27-22-9-5-4-8-20(22)21-12-11-19(15-24(21)28(27)36-29)34-30(37)33-18-6-2-1-3-7-18;1-14(29)15-10-11-18-21(13-26-22(18)12-15)25-27-23-19-8-4-2-6-16(19)17-7-3-5-9-20(17)24(23)28-25;24-12-5-7-15-14-3-1-2-4-16(14)21-22(18(15)10-12)28-23(27-21)19-11-26-20-8-6-13(25)9-17(19)20;24-13-9-10-20-18(11-13)19(12-25-20)23-26-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)27-23;28-27(29)13-9-10-20-18(11-13)19(12-24-20)23-25-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)26-23/h1-16,32H,(H,35,36)(H2,33,34,37);2-13,26H,1H3,(H,27,28);1-11,26H,(H,27,28);1-12,25H,(H,26,27);1-12,24H,(H,25,26)
• InChIKey: JELNZWXRWDHWRJ-UHFFFAOYSA-N
• XLogP: 34.43
• TPSA: 306.62 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2158.89
LogP ≤ 5	34.43
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone?

The IUPAC name of 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone (CID 158892897) is 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone.

What is the SMILES notation for 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone?

The canonical SMILES for 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone is Brc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.CC(=O)c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1.Fc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.O=[N+]([O-])c1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.S=C(Nc1ccccc1)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.

What is the InChIKey of 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone?

The InChIKey is JELNZWXRWDHWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BrN5S.C25H17N3O.C23H13Br2N3.C23H14FN3.C23H14N4O2/c31-17-10-13-26-23(14-17)25(16-32-26)29-35-27-22-9-5-4-8-20(22)21-12-11-19(15-24(21)28(27)36-29)34-30(37)33-18-6-2-1-3-7-18;1-14(29)15-10-11-18-21(13-26-22(18)12-15)25-27-23-19-8-4-2-6-16(19)17-7-3-5-9-20(17)24(23)28-25;24-12-5-7-15-14-3-1-2-4-16(14)21-22(18(15)10-12)28-23(27-21)19-11-26-20-8-6-13(25)9-17(19)20;24-13-9-10-20-18(11-13)19(12-25-20)23-26-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)27-23;28-27(29)13-9-10-20-18(11-13)19(12-24-20)23-25-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)26-23/h1-16,32H,(H,35,36)(H2,33,34,37);2-13,26H,1H3,(H,27,28);1-11,26H,(H,27,28);1-12,25H,(H,26,27);1-12,24H,(H,25,26).

What are the key properties of 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone?

5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone has a molecular weight of 2158.89 g/mol, XLogP of 34.43, 9 rotatable bonds, 12 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone is sourced from PubChem (CID 158892897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).