2-(1-benzylindol-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-(1-methyl-2-phenylindol-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-[3-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid

C168H113FN24O4 — CID 157225770

About 2-(1-benzylindol-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-(1-methyl-2-phenylindol-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-[3-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid

2-(1-benzylindol-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-(1-methyl-2-phenylindol-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-[3-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid (PubChem CID 157225770) has the molecular formula C168H113FN24O4 and a molecular weight of 2550.91 g/mol. Its IUPAC name is 2-(1-benzylindol-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-(1-methyl-2-phenylindol-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-[3-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-(1-benzylindol-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-(1-methyl-2-phenylindol-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-[3-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid
• PubChem CID: 157225770
• Molecular Formula: C168H113FN24O4
• Molecular Weight: 2550.91 g/mol
• Exact Mass: 2548.94
• IUPAC Name: 2-(1-benzylindol-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-(1-methyl-2-phenylindol-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-[3-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid
• SMILES: COn1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.Cn1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.Fc1ccc(-c2[nH]c3ccccc3c2C2=Nc3c(c4cccnc4c4ncccc34)C2)cc1.O=C(O)Cn1cc(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.c1ccc(COc2cccc3c(C4=Nc5c(c6cccnc6c6ncccc56)C4)c[nH]c23)cc1.c1ccc(Cn2cc(C3=Nc4c(c5cccnc5c5ncccc45)C3)c3ccccc32)cc1
• InChI: InChI=1S/2C29H20N4O.2C29H20N4.C28H17FN4.C24H16N4O2/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;1-33-24-14-6-5-11-20(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;1-2-8-19(9-3-1)17-33-18-24(20-10-4-5-13-26(20)33)25-16-23-21-11-6-14-30-28(21)29-22(27(23)32-25)12-7-15-31-29;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;29-21(30)13-28-12-18(14-5-1-2-8-20(14)28)19-11-17-15-6-3-9-25-23(15)24-16(22(17)27-19)7-4-10-26-24/h2-16H,17H2,1H3;1-14,16,32H,15,17H2;2-16H,17H2,1H3;1-15,18H,16-17H2;1-14,32H,15H2;1-10,12H,11,13H2,(H,29,30)
• InChIKey: ATNCHKVOEGDHEN-UHFFFAOYSA-N
• XLogP: 36.99
• TPSA: 335.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2550.91
LogP ≤ 5	36.99
H-Bond Donors ≤ 5	3
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)-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-(1-methyl-2-phenylindol-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-[3-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid?

The IUPAC name of 2-(1-benzylindol-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-(1-methyl-2-phenylindol-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-[3-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid (CID 157225770) is 2-(1-benzylindol-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-(1-methyl-2-phenylindol-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-[3-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid.

What is the SMILES notation for 2-(1-benzylindol-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-(1-methyl-2-phenylindol-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-[3-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid?

The canonical SMILES for 2-(1-benzylindol-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-(1-methyl-2-phenylindol-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-[3-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid is COn1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.Cn1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.Fc1ccc(-c2[nH]c3ccccc3c2C2=Nc3c(c4cccnc4c4ncccc34)C2)cc1.O=C(O)Cn1cc(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.c1ccc(COc2cccc3c(C4=Nc5c(c6cccnc6c6ncccc56)C4)c[nH]c23)cc1.c1ccc(Cn2cc(C3=Nc4c(c5cccnc5c5ncccc45)C3)c3ccccc32)cc1.

What is the InChIKey of 2-(1-benzylindol-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-(1-methyl-2-phenylindol-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-[3-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid?

The InChIKey is ATNCHKVOEGDHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H20N4O.2C29H20N4.C28H17FN4.C24H16N4O2/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;1-33-24-14-6-5-11-20(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;1-2-8-19(9-3-1)17-33-18-24(20-10-4-5-13-26(20)33)25-16-23-21-11-6-14-30-28(21)29-22(27(23)32-25)12-7-15-31-29;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;29-21(30)13-28-12-18(14-5-1-2-8-20(14)28)19-11-17-15-6-3-9-25-23(15)24-16(22(17)27-19)7-4-10-26-24/h2-16H,17H2,1H3;1-14,16,32H,15,17H2;2-16H,17H2,1H3;1-15,18H,16-17H2;1-14,32H,15H2;1-10,12H,11,13H2,(H,29,30).

What are the key properties of 2-(1-benzylindol-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-(1-methyl-2-phenylindol-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-[3-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid?

2-(1-benzylindol-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-(1-methyl-2-phenylindol-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-[3-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid has a molecular weight of 2550.91 g/mol, XLogP of 36.99, 17 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzylindol-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-(1-methyl-2-phenylindol-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-[3-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)indol-1-yl]acetic acid is sourced from PubChem (CID 157225770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).