2-(5-bromo-1H-indol-3-yl)-5-iodo-1H-phenanthro[9,10-d]imidazole;bis(2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole);2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole

C121H72Br3IN18O6 — CID 157263919

About 2-(5-bromo-1H-indol-3-yl)-5-iodo-1H-phenanthro[9,10-d]imidazole;bis(2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole);2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole

2-(5-bromo-1H-indol-3-yl)-5-iodo-1H-phenanthro[9,10-d]imidazole;bis(2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole);2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 157263919) has the molecular formula C121H72Br3IN18O6 and a molecular weight of 2240.64 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-5-iodo-1H-phenanthro[9,10-d]imidazole;bis(2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole);2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

• Compound Name: 2-(5-bromo-1H-indol-3-yl)-5-iodo-1H-phenanthro[9,10-d]imidazole;bis(2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole);2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
• PubChem CID: 157263919
• Molecular Formula: C121H72Br3IN18O6
• Molecular Weight: 2240.64 g/mol
• Exact Mass: 2236.25
• IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-5-iodo-1H-phenanthro[9,10-d]imidazole;bis(2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole);2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
• SMILES: Brc1ccc2[nH]cc(-c3nc4c5cc(I)ccc5c5ccccc5c4[nH]3)c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.c1ccc(-c2[nH]c3ccccc3c2-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1
• InChI: InChI=1S/C29H19N3.C23H13BrIN3.2C23H13BrN4O2.C23H14N4O2/c1-2-10-18(11-3-1)26-25(23-16-8-9-17-24(23)30-26)29-31-27-21-14-6-4-12-19(21)20-13-5-7-15-22(20)28(27)32-29;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;2*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;28-27(29)13-9-10-15-14-5-1-2-7-17(14)21-22(18(15)11-13)26-23(25-21)19-12-24-20-8-4-3-6-16(19)20/h1-17,30H,(H,31,32);1-11,26H,(H,27,28);2*1-11,25H,(H,26,27);1-12,24H,(H,25,26)
• InChIKey: AXTWXPIKZFBIFW-UHFFFAOYSA-N
• XLogP: 34.37
• TPSA: 351.77 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2240.64
LogP ≤ 5	34.37
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'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 2-(5-bromo-1H-indol-3-yl)-5-iodo-1H-phenanthro[9,10-d]imidazole;bis(2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole);2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-5-iodo-1H-phenanthro[9,10-d]imidazole;bis(2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole);2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (CID 157263919) is 2-(5-bromo-1H-indol-3-yl)-5-iodo-1H-phenanthro[9,10-d]imidazole;bis(2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole);2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.

What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-5-iodo-1H-phenanthro[9,10-d]imidazole;bis(2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole);2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-5-iodo-1H-phenanthro[9,10-d]imidazole;bis(2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole);2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is Brc1ccc2[nH]cc(-c3nc4c5cc(I)ccc5c5ccccc5c4[nH]3)c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.c1ccc(-c2[nH]c3ccccc3c2-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1.

What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-5-iodo-1H-phenanthro[9,10-d]imidazole;bis(2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole);2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

The InChIKey is AXTWXPIKZFBIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3.C23H13BrIN3.2C23H13BrN4O2.C23H14N4O2/c1-2-10-18(11-3-1)26-25(23-16-8-9-17-24(23)30-26)29-31-27-21-14-6-4-12-19(21)20-13-5-7-15-22(20)28(27)32-29;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;2*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;28-27(29)13-9-10-15-14-5-1-2-7-17(14)21-22(18(15)11-13)26-23(25-21)19-12-24-20-8-4-3-6-16(19)20/h1-17,30H,(H,31,32);1-11,26H,(H,27,28);2*1-11,25H,(H,26,27);1-12,24H,(H,25,26).

What are the key properties of 2-(5-bromo-1H-indol-3-yl)-5-iodo-1H-phenanthro[9,10-d]imidazole;bis(2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole);2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

2-(5-bromo-1H-indol-3-yl)-5-iodo-1H-phenanthro[9,10-d]imidazole;bis(2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole);2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 2240.64 g/mol, XLogP of 34.37, 9 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromo-1H-indol-3-yl)-5-iodo-1H-phenanthro[9,10-d]imidazole;bis(2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole);2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 157263919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).