2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

C162H107FN30O4 — CID 161195136

About 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 161195136) has the molecular formula C162H107FN30O4 and a molecular weight of 2556.84 g/mol. Its IUPAC name is 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

• Compound Name: 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
• PubChem CID: 161195136
• Molecular Formula: C162H107FN30O4
• Molecular Weight: 2556.84 g/mol
• Exact Mass: 2554.91
• IUPAC Name: 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
• SMILES: COn1c(-c2ccccc2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21.Cn1c(-c2ccccc2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21.Fc1ccc(-c2[nH]c3ccccc3c2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.O=C(O)Cn1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21.c1ccc(COc2cccc3c(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c[nH]c23)cc1.c1ccc(Cn2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c3ccccc32)cc1
• InChI: InChI=1S/2C28H19N5O.2C28H19N5.C27H16FN5.C23H15N5O2/c1-34-33-21-14-6-5-11-18(21)22(27(33)17-9-3-2-4-10-17)28-31-25-19-12-7-15-29-23(19)24-20(26(25)32-28)13-8-16-30-24;1-2-7-17(8-3-1)16-34-22-12-4-9-18-21(15-31-23(18)22)28-32-26-19-10-5-13-29-24(19)25-20(27(26)33-28)11-6-14-30-25;1-33-21-14-6-5-11-18(21)22(27(33)17-9-3-2-4-10-17)28-31-25-19-12-7-15-29-23(19)24-20(26(25)32-28)13-8-16-30-24;1-2-8-18(9-3-1)16-33-17-22(19-10-4-5-13-23(19)33)28-31-26-20-11-6-14-29-24(20)25-21(27(26)32-28)12-7-15-30-25;28-16-11-9-15(10-12-16)22-21(17-5-1-2-8-20(17)31-22)27-32-25-18-6-3-13-29-23(18)24-19(26(25)33-27)7-4-14-30-24;29-18(30)12-28-11-16(13-5-1-2-8-17(13)28)23-26-21-14-6-3-9-24-19(14)20-15(22(21)27-23)7-4-10-25-20/h2-16H,1H3,(H,31,32);1-15,31H,16H2,(H,32,33);2-16H,1H3,(H,31,32);1-15,17H,16H2,(H,31,32);1-14,31H,(H,32,33);1-11H,12H2,(H,26,27)(H,29,30)
• InChIKey: UUFWPUUVJHBQIJ-UHFFFAOYSA-N
• XLogP: 36.19
• TPSA: 433.82 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2556.84
LogP ≤ 5	36.19
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

The IUPAC name of 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 161195136) is 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

What is the SMILES notation for 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

The canonical SMILES for 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is COn1c(-c2ccccc2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21.Cn1c(-c2ccccc2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21.Fc1ccc(-c2[nH]c3ccccc3c2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.O=C(O)Cn1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21.c1ccc(COc2cccc3c(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c[nH]c23)cc1.c1ccc(Cn2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c3ccccc32)cc1.

What is the InChIKey of 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

The InChIKey is UUFWPUUVJHBQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H19N5O.2C28H19N5.C27H16FN5.C23H15N5O2/c1-34-33-21-14-6-5-11-18(21)22(27(33)17-9-3-2-4-10-17)28-31-25-19-12-7-15-29-23(19)24-20(26(25)32-28)13-8-16-30-24;1-2-7-17(8-3-1)16-34-22-12-4-9-18-21(15-31-23(18)22)28-32-26-19-10-5-13-29-24(19)25-20(27(26)33-28)11-6-14-30-25;1-33-21-14-6-5-11-18(21)22(27(33)17-9-3-2-4-10-17)28-31-25-19-12-7-15-29-23(19)24-20(26(25)32-28)13-8-16-30-24;1-2-8-18(9-3-1)16-33-17-22(19-10-4-5-13-23(19)33)28-31-26-20-11-6-14-29-24(20)25-21(27(26)32-28)12-7-15-30-25;28-16-11-9-15(10-12-16)22-21(17-5-1-2-8-20(17)31-22)27-32-25-18-6-3-13-29-23(18)24-19(26(25)33-27)7-4-14-30-24;29-18(30)12-28-11-16(13-5-1-2-8-17(13)28)23-26-21-14-6-3-9-24-19(14)20-15(22(21)27-23)7-4-10-25-20/h2-16H,1H3,(H,31,32);1-15,31H,16H2,(H,32,33);2-16H,1H3,(H,31,32);1-15,17H,16H2,(H,31,32);1-14,31H,(H,32,33);1-11H,12H2,(H,26,27)(H,29,30).

What are the key properties of 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 2556.84 g/mol, XLogP of 36.19, 17 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 161195136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).