3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole

C101H71Br2I2N13O4 — CID 159886519

About 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole

3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole (PubChem CID 159886519) has the molecular formula C101H71Br2I2N13O4 and a molecular weight of 1944.38 g/mol. Its IUPAC name is 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

• Compound Name: 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
• PubChem CID: 159886519
• Molecular Formula: C101H71Br2I2N13O4
• Molecular Weight: 1944.38 g/mol
• Exact Mass: 1941.22
• IUPAC Name: 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
• SMILES: Brc1ccc2[nH]cc(-c3nc(-c4cccc(I)c4)c(-c4cccc(I)c4)[nH]3)c2c1.COc1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccccc2)cc1OC.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)[nH]1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1
• InChI: InChI=1S/C30H23N3.C25H21N3O2.C23H14BrI2N3.C23H13BrN4O2/c1-20-27(25-14-8-9-15-26(25)31-20)30-32-28(23-12-6-3-7-13-23)29(33-30)24-18-16-22(17-19-24)21-10-4-2-5-11-21;1-29-21-13-12-17(14-22(21)30-2)24-23(16-8-4-3-5-9-16)27-25(28-24)19-15-26-20-11-7-6-10-18(19)20;24-15-7-8-20-18(11-15)19(12-27-20)23-28-21(13-3-1-5-16(25)9-13)22(29-23)14-4-2-6-17(26)10-14;24-12-5-8-20-17(9-12)19(11-25-20)23-26-21-16-4-2-1-3-14(16)15-7-6-13(28(29)30)10-18(15)22(21)27-23/h2-19,31H,1H3,(H,32,33);3-15,26H,1-2H3,(H,27,28);1-12,27H,(H,28,29);1-11,25H,(H,26,27)
• InChIKey: NUEZLMKYGOHTFS-UHFFFAOYSA-N
• XLogP: 28.33
• TPSA: 239.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1944.38
LogP ≤ 5	28.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'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'}

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?

The IUPAC name of 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole (CID 159886519) is 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole.

What is the SMILES notation for 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?

The canonical SMILES for 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole is Brc1ccc2[nH]cc(-c3nc(-c4cccc(I)c4)c(-c4cccc(I)c4)[nH]3)c2c1.COc1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccccc2)cc1OC.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)[nH]1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.

What is the InChIKey of 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?

The InChIKey is NUEZLMKYGOHTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3.C25H21N3O2.C23H14BrI2N3.C23H13BrN4O2/c1-20-27(25-14-8-9-15-26(25)31-20)30-32-28(23-12-6-3-7-13-23)29(33-30)24-18-16-22(17-19-24)21-10-4-2-5-11-21;1-29-21-13-12-17(14-22(21)30-2)24-23(16-8-4-3-5-9-16)27-25(28-24)19-15-26-20-11-7-6-10-18(19)20;24-15-7-8-20-18(11-15)19(12-27-20)23-28-21(13-3-1-5-16(25)9-13)22(29-23)14-4-2-6-17(26)10-14;24-12-5-8-20-17(9-12)19(11-25-20)23-26-21-16-4-2-1-3-14(16)15-7-6-13(28(29)30)10-18(15)22(21)27-23/h2-19,31H,1H3,(H,32,33);3-15,26H,1-2H3,(H,27,28);1-12,27H,(H,28,29);1-11,25H,(H,26,27).

What are the key properties of 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?

3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole has a molecular weight of 1944.38 g/mol, XLogP of 28.33, 14 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 159886519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).