3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole

C99H66Br4ClN15O4 — CID 159324002

About 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole

3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole (PubChem CID 159324002) has the molecular formula C99H66Br4ClN15O4 and a molecular weight of 1884.79 g/mol. Its IUPAC name is 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

• Compound Name: 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
• PubChem CID: 159324002
• Molecular Formula: C99H66Br4ClN15O4
• Molecular Weight: 1884.79 g/mol
• Exact Mass: 1879.18
• IUPAC Name: 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
• SMILES: Cc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)c1.Clc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(-c3ccccc3)cc2)cc1.Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.O=[N+]([O-])c1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1
• InChI: InChI=1S/C29H19BrClN3.C24H18BrN3.C23H14BrN5O4.C23H15BrN4/c30-22-12-15-26-24(16-22)25(17-32-26)29-33-27(28(34-29)21-10-13-23(31)14-11-21)20-8-6-19(7-9-20)18-4-2-1-3-5-18;1-15-6-5-9-17(12-15)23-22(16-7-3-2-4-8-16)27-24(28-23)20-14-26-21-11-10-18(25)13-19(20)21;24-15-5-10-20-18(11-15)19(12-25-20)23-26-21(13-1-6-16(7-2-13)28(30)31)22(27-23)14-3-8-17(9-4-14)29(32)33;24-12-5-8-20-17(9-12)19(11-26-20)23-27-21-16-4-2-1-3-14(16)15-7-6-13(25)10-18(15)22(21)28-23/h1-17,32H,(H,33,34);2-14,26H,1H3,(H,27,28);1-12,25H,(H,26,27);1-11,26H,25H2,(H,27,28)
• InChIKey: LECXFSJKOGQUKA-UHFFFAOYSA-N
• XLogP: 28.77
• TPSA: 290.18 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1884.79
LogP ≤ 5	28.77
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole?

The IUPAC name of 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole (CID 159324002) is 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole.

What is the SMILES notation for 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole?

The canonical SMILES for 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole is Cc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)c1.Clc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(-c3ccccc3)cc2)cc1.Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.O=[N+]([O-])c1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1.

What is the InChIKey of 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole?

The InChIKey is LECXFSJKOGQUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19BrClN3.C24H18BrN3.C23H14BrN5O4.C23H15BrN4/c30-22-12-15-26-24(16-22)25(17-32-26)29-33-27(28(34-29)21-10-13-23(31)14-11-21)20-8-6-19(7-9-20)18-4-2-1-3-5-18;1-15-6-5-9-17(12-15)23-22(16-7-3-2-4-8-16)27-24(28-23)20-14-26-21-11-10-18(25)13-19(20)21;24-15-5-10-20-18(11-15)19(12-25-20)23-26-21(13-1-6-16(7-2-13)28(30)31)22(27-23)14-3-8-17(9-4-14)29(32)33;24-12-5-8-20-17(9-12)19(11-26-20)23-27-21-16-4-2-1-3-14(16)15-7-6-13(25)10-18(15)22(21)28-23/h1-17,32H,(H,33,34);2-14,26H,1H3,(H,27,28);1-12,25H,(H,26,27);1-11,26H,25H2,(H,27,28).

What are the key properties of 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole?

3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole has a molecular weight of 1884.79 g/mol, XLogP of 28.77, 13 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 159324002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).