2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;methyl 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carboxylate;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine

C122H88FN19O4 — CID 160898285

About 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;methyl 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carboxylate;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine

2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;methyl 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carboxylate;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine (PubChem CID 160898285) has the molecular formula C122H88FN19O4 and a molecular weight of 1903.17 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;methyl 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carboxylate;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine.

Molecular Properties

• Compound Name: 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;methyl 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carboxylate;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
• PubChem CID: 160898285
• Molecular Formula: C122H88FN19O4
• Molecular Weight: 1903.17 g/mol
• Exact Mass: 1901.73
• IUPAC Name: 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;methyl 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carboxylate;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
• SMILES: COC(=O)c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(N3CCCCC3)cc2)[nH]1.Fc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ncccc45)nc3c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1
• InChI: InChI=1S/C29H28N4.C25H17N3O2.C23H14FN3.C23H14N4O2.C22H15N5/c1-20-26(24-12-6-7-13-25(24)30-20)29-31-27(21-10-4-2-5-11-21)28(32-29)22-14-16-23(17-15-22)33-18-8-3-9-19-33;1-30-25(29)14-10-11-17-20(13-26-21(17)12-14)24-27-22-18-8-4-2-6-15(18)16-7-3-5-9-19(16)23(22)28-24;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)13-9-10-15-14-5-1-2-7-17(14)21-22(18(15)11-13)26-23(25-21)19-12-24-20-8-4-3-6-16(19)20;23-12-7-8-14-13-4-1-2-5-15(13)19-20(17(14)10-12)27-22(26-19)18-11-25-21-16(18)6-3-9-24-21/h2,4-7,10-17,30H,3,8-9,18-19H2,1H3,(H,31,32);2-13,26H,1H3,(H,27,28);1-12,25H,(H,26,27);1-12,24H,(H,25,26);1-11H,23H2,(H,24,25)(H,26,27)
• InChIKey: SPDXJJLFLSAQMR-UHFFFAOYSA-N
• XLogP: 30.07
• TPSA: 333.94 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1903.17
LogP ≤ 5	30.07
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	12

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 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;methyl 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carboxylate;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine?

The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;methyl 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carboxylate;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine (CID 160898285) is 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;methyl 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carboxylate;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine.

What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;methyl 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carboxylate;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine?

The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;methyl 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carboxylate;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine is COC(=O)c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(N3CCCCC3)cc2)[nH]1.Fc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ncccc45)nc3c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.

What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;methyl 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carboxylate;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine?

The InChIKey is SPDXJJLFLSAQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4.C25H17N3O2.C23H14FN3.C23H14N4O2.C22H15N5/c1-20-26(24-12-6-7-13-25(24)30-20)29-31-27(21-10-4-2-5-11-21)28(32-29)22-14-16-23(17-15-22)33-18-8-3-9-19-33;1-30-25(29)14-10-11-17-20(13-26-21(17)12-14)24-27-22-18-8-4-2-6-15(18)16-7-3-5-9-19(16)23(22)28-24;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)13-9-10-15-14-5-1-2-7-17(14)21-22(18(15)11-13)26-23(25-21)19-12-24-20-8-4-3-6-16(19)20;23-12-7-8-14-13-4-1-2-5-15(13)19-20(17(14)10-12)27-22(26-19)18-11-25-21-16(18)6-3-9-24-21/h2,4-7,10-17,30H,3,8-9,18-19H2,1H3,(H,31,32);2-13,26H,1H3,(H,27,28);1-12,25H,(H,26,27);1-12,24H,(H,25,26);1-11H,23H2,(H,24,25)(H,26,27).

What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;methyl 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carboxylate;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine?

2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;methyl 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carboxylate;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine has a molecular weight of 1903.17 g/mol, XLogP of 30.07, 10 rotatable bonds, 11 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;methyl 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carboxylate;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine is sourced from PubChem (CID 160898285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).