2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline

C137H89Br2FN20O3 — CID 160531246

About 2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline

2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline (PubChem CID 160531246) has the molecular formula C137H89Br2FN20O3 and a molecular weight of 2242.16 g/mol. Its IUPAC name is 2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline.

Molecular Properties

• Compound Name: 2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
• PubChem CID: 160531246
• Molecular Formula: C137H89Br2FN20O3
• Molecular Weight: 2242.16 g/mol
• Exact Mass: 2238.58
• IUPAC Name: 2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
• SMILES: Brc1cc(Br)c2[nH]cc(C3=Nc4c(c5cccnc5c5ncccc45)C3)c2c1.COn1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.Fc1ccc(-c2[nH]c3ccccc3c2C2=Nc3c(c4cccnc4c4ncccc34)C2)cc1.c1ccc(COc2ccc3[nH]cc(C4=Nc5c(c6cccnc6c6ncccc56)C4)c3c2)cc1.c1ccc(COc2cccc3c(C4=Nc5c(c6cccnc6c6ncccc56)C4)c[nH]c23)cc1
• InChI: InChI=1S/3C29H20N4O.C28H17FN4.C22H12Br2N4/c1-34-33-24-14-6-5-11-20(24)25(29(33)18-9-3-2-4-10-18)23-17-22-19-12-7-15-30-27(19)28-21(26(22)32-23)13-8-16-31-28;1-2-7-18(8-3-1)17-34-25-12-4-9-20-23(16-32-27(20)25)24-15-22-19-10-5-13-30-28(19)29-21(26(22)33-24)11-6-14-31-29;1-2-6-18(7-3-1)17-34-19-10-11-25-22(14-19)24(16-32-25)26-15-23-20-8-4-12-30-28(20)29-21(27(23)33-26)9-5-13-31-29;29-17-11-9-16(10-12-17)25-24(19-5-1-2-8-22(19)32-25)23-15-21-18-6-3-13-30-27(18)28-20(26(21)33-23)7-4-14-31-28;23-11-7-14-16(10-27-20(14)17(24)8-11)18-9-15-12-3-1-5-25-21(12)22-13(19(15)28-18)4-2-6-26-22/h2-16H,17H2,1H3;2*1-14,16,32H,15,17H2;1-14,32H,15H2;1-8,10,27H,9H2
• InChIKey: QVOKTKBGRABPPV-UHFFFAOYSA-N
• XLogP: 32.39
• TPSA: 286.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2242.16
LogP ≤ 5	32.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?

The IUPAC name of 2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline (CID 160531246) is 2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline.

What is the SMILES notation for 2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?

The canonical SMILES for 2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline is Brc1cc(Br)c2[nH]cc(C3=Nc4c(c5cccnc5c5ncccc45)C3)c2c1.COn1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.Fc1ccc(-c2[nH]c3ccccc3c2C2=Nc3c(c4cccnc4c4ncccc34)C2)cc1.c1ccc(COc2ccc3[nH]cc(C4=Nc5c(c6cccnc6c6ncccc56)C4)c3c2)cc1.c1ccc(COc2cccc3c(C4=Nc5c(c6cccnc6c6ncccc56)C4)c[nH]c23)cc1.

What is the InChIKey of 2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?

The InChIKey is QVOKTKBGRABPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C29H20N4O.C28H17FN4.C22H12Br2N4/c1-34-33-24-14-6-5-11-20(24)25(29(33)18-9-3-2-4-10-18)23-17-22-19-12-7-15-30-27(19)28-21(26(22)32-23)13-8-16-31-28;1-2-7-18(8-3-1)17-34-25-12-4-9-20-23(16-32-27(20)25)24-15-22-19-10-5-13-30-28(19)29-21(26(22)33-24)11-6-14-31-29;1-2-6-18(7-3-1)17-34-19-10-11-25-22(14-19)24(16-32-25)26-15-23-20-8-4-12-30-28(20)29-21(27(23)33-26)9-5-13-31-29;29-17-11-9-16(10-12-17)25-24(19-5-1-2-8-22(19)32-25)23-15-21-18-6-3-13-30-27(18)28-20(26(21)33-23)7-4-14-31-28;23-11-7-14-16(10-27-20(14)17(24)8-11)18-9-15-12-3-1-5-25-21(12)22-13(19(15)28-18)4-2-6-26-22/h2-16H,17H2,1H3;2*1-14,16,32H,15,17H2;1-14,32H,15H2;1-8,10,27H,9H2.

What are the key properties of 2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?

2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline has a molecular weight of 2242.16 g/mol, XLogP of 32.39, 14 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 160531246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).