2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol

C94H68Br2IN11O2 — CID 161357958

About 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol

2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol (PubChem CID 161357958) has the molecular formula C94H68Br2IN11O2 and a molecular weight of 1670.36 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol.

Molecular Properties

• Compound Name: 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol
• PubChem CID: 161357958
• Molecular Formula: C94H68Br2IN11O2
• Molecular Weight: 1670.36 g/mol
• Exact Mass: 1667.30
• IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol
• SMILES: Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(CN5CCCCC5)cc4)[nH]3)c2c1.Brc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.Oc1cccc(-c2nc3c4cc(I)ccc4c4ccccc4c3[nH]2)c1.Oc1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1
• InChI: InChI=1S/C29H27BrN4.C23H14BrN3.C21H13IN2O.C21H14N2O/c30-23-13-14-26-24(17-23)25(18-31-26)29-32-27(21-7-3-1-4-8-21)28(33-29)22-11-9-20(10-12-22)19-34-15-5-2-6-16-34;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;22-13-8-9-16-15-6-1-2-7-17(15)19-20(18(16)11-13)24-21(23-19)12-4-3-5-14(25)10-12;24-14-7-5-6-13(12-14)21-22-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20(19)23-21/h1,3-4,7-14,17-18,31H,2,5-6,15-16,19H2,(H,32,33);1-12,25H,(H,26,27);1-11,25H,(H,23,24);1-12,24H,(H,22,23)
• InChIKey: VOUFMBCAJJZZGC-UHFFFAOYSA-N
• XLogP: 25.51
• TPSA: 190.00 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1670.36
LogP ≤ 5	25.51
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?

The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol (CID 161357958) is 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol.

What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?

The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol is Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(CN5CCCCC5)cc4)[nH]3)c2c1.Brc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.Oc1cccc(-c2nc3c4cc(I)ccc4c4ccccc4c3[nH]2)c1.Oc1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1.

What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?

The InChIKey is VOUFMBCAJJZZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27BrN4.C23H14BrN3.C21H13IN2O.C21H14N2O/c30-23-13-14-26-24(17-23)25(18-31-26)29-32-27(21-7-3-1-4-8-21)28(33-29)22-11-9-20(10-12-22)19-34-15-5-2-6-16-34;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;22-13-8-9-16-15-6-1-2-7-17(15)19-20(18(16)11-13)24-21(23-19)12-4-3-5-14(25)10-12;24-14-7-5-6-13(12-14)21-22-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20(19)23-21/h1,3-4,7-14,17-18,31H,2,5-6,15-16,19H2,(H,32,33);1-12,25H,(H,26,27);1-11,25H,(H,23,24);1-12,24H,(H,22,23).

What are the key properties of 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?

2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol has a molecular weight of 1670.36 g/mol, XLogP of 25.51, 8 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol is sourced from PubChem (CID 161357958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).