2-amino-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid

C104H63Br5N18O7 — CID 159641563

About 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid

2-amino-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid (PubChem CID 159641563) has the molecular formula C104H63Br5N18O7 and a molecular weight of 2076.29 g/mol. Its IUPAC name is 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid.

Molecular Properties

• Compound Name: 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid
• PubChem CID: 159641563
• Molecular Formula: C104H63Br5N18O7
• Molecular Weight: 2076.29 g/mol
• Exact Mass: 2070.10
• IUPAC Name: 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid
• SMILES: Brc1ccc2[nH]cc(/C=N/c3ccc4c(c3)c3ccccc3c3[nH]c(-c5c[nH]c6ccc(Br)cc56)nc43)c2c1.NCC(=O)Nc1ccc2c(c1)c1ccccc1c1nc(-c3c[nH]c4ccc(Br)cc34)[nH]c21.O=C(O)c1ccc2c(c1)c1ccccc1c1nc(-c3c[nH]c4ccc(Br)cc34)[nH]c21.O=[N+]([O-])c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21
• InChI: InChI=1S/C32H19Br2N5.C25H18BrN5O.C24H14BrN3O2.C23H12BrN5O4/c33-18-5-9-28-24(11-18)17(15-36-28)14-35-20-7-8-23-25(13-20)21-3-1-2-4-22(21)30-31(23)39-32(38-30)27-16-37-29-10-6-19(34)12-26(27)29;26-13-5-8-21-19(9-13)20(12-28-21)25-30-23-16-4-2-1-3-15(16)18-10-14(29-22(32)11-27)6-7-17(18)24(23)31-25;25-13-6-8-20-18(10-13)19(11-26-20)23-27-21-15-4-2-1-3-14(15)17-9-12(24(29)30)5-7-16(17)22(21)28-23;24-11-1-6-20-18(7-11)19(10-25-20)23-26-21-14-4-2-12(28(30)31)8-16(14)17-9-13(29(32)33)3-5-15(17)22(21)27-23/h1-16,36-37H,(H,38,39);1-10,12,28H,11,27H2,(H,29,32)(H,30,31);1-11,26H,(H,27,28)(H,29,30);1-10,25H,(H,26,27)/b35-14+
• InChIKey: MQKNKVJPMNWTRP-SQJQHRKPSA-N
• XLogP: 28.53
• TPSA: 384.73 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2076.29
LogP ≤ 5	28.53
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', '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-amino-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid?

The IUPAC name of 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid (CID 159641563) is 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid.

What is the SMILES notation for 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid?

The canonical SMILES for 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid is Brc1ccc2[nH]cc(/C=N/c3ccc4c(c3)c3ccccc3c3[nH]c(-c5c[nH]c6ccc(Br)cc56)nc43)c2c1.NCC(=O)Nc1ccc2c(c1)c1ccccc1c1nc(-c3c[nH]c4ccc(Br)cc34)[nH]c21.O=C(O)c1ccc2c(c1)c1ccccc1c1nc(-c3c[nH]c4ccc(Br)cc34)[nH]c21.O=[N+]([O-])c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21.

What is the InChIKey of 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid?

The InChIKey is MQKNKVJPMNWTRP-SQJQHRKPSA-N. The full InChI is InChI=1S/C32H19Br2N5.C25H18BrN5O.C24H14BrN3O2.C23H12BrN5O4/c33-18-5-9-28-24(11-18)17(15-36-28)14-35-20-7-8-23-25(13-20)21-3-1-2-4-22(21)30-31(23)39-32(38-30)27-16-37-29-10-6-19(34)12-26(27)29;26-13-5-8-21-19(9-13)20(12-28-21)25-30-23-16-4-2-1-3-15(16)18-10-14(29-22(32)11-27)6-7-17(18)24(23)31-25;25-13-6-8-20-18(10-13)19(11-26-20)23-27-21-15-4-2-1-3-14(15)17-9-12(24(29)30)5-7-16(17)22(21)28-23;24-11-1-6-20-18(7-11)19(10-25-20)23-26-21-14-4-2-12(28(30)31)8-16(14)17-9-13(29(32)33)3-5-15(17)22(21)27-23/h1-16,36-37H,(H,38,39);1-10,12,28H,11,27H2,(H,29,32)(H,30,31);1-11,26H,(H,27,28)(H,29,30);1-10,25H,(H,26,27)/b35-14+;;;.

What are the key properties of 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid?

2-amino-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid has a molecular weight of 2076.29 g/mol, XLogP of 28.53, 11 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid is sourced from PubChem (CID 159641563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).