2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]propan-1-one;2-(5,7-dibromo-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

C131H92Br2N21O4+ — CID 161407907

About 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]propan-1-one;2-(5,7-dibromo-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-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]propan-1-one;2-(5,7-dibromo-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 (PubChem CID 161407907) has the molecular formula C131H92Br2N21O4+ and a molecular weight of 2184.13 g/mol. Its IUPAC name is 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]propan-1-one;2-(5,7-dibromo-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.

Molecular Properties

• Compound Name: 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]propan-1-one;2-(5,7-dibromo-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
• PubChem CID: 161407907
• Molecular Formula: C131H92Br2N21O4+
• Molecular Weight: 2184.13 g/mol
• Exact Mass: 2180.60
• IUPAC Name: 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]propan-1-one;2-(5,7-dibromo-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
• SMILES: Brc1cc(Br)c2[nH]cc(C3=Nc4c(c5cccnc5c5ncccc45)C3)c2c1.CCC(=O)n1cc(-c2nc3c4cc(N)ccc4c4ccccc4c3[nH]2)c2ccccc21.COn1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.NCC(=O)n1c(-c2c[nH]c3ccccc23)[nH+]c2c3cc(N)ccc3c3ccccc3c21.c1ccc(COc2ccc3[nH]cc(C4=Nc5c(c6cccnc6c6ncccc56)C4)c3c2)cc1
• InChI: InChI=1S/2C29H20N4O.C26H20N4O.C25H19N5O.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;1-2-6-18(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;1-2-23(31)30-14-21(18-8-5-6-10-22(18)30)26-28-24-19-9-4-3-7-16(19)17-12-11-15(27)13-20(17)25(24)29-26;26-12-22(31)30-24-18-7-2-1-5-15(18)16-10-9-14(27)11-19(16)23(24)29-25(30)20-13-28-21-8-4-3-6-17(20)21;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;1-14,16,32H,15,17H2;3-14H,2,27H2,1H3,(H,28,29);1-11,13,28H,12,26-27H2;1-8,10,27H,9H2/p+1
• InChIKey: LAAUWUPVODJEJC-UHFFFAOYSA-O
• XLogP: 29.34
• TPSA: 350.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2184.13
LogP ≤ 5	29.34
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]propan-1-one;2-(5,7-dibromo-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?

The IUPAC name of 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]propan-1-one;2-(5,7-dibromo-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 (CID 161407907) is 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]propan-1-one;2-(5,7-dibromo-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.

What is the SMILES notation for 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]propan-1-one;2-(5,7-dibromo-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?

The canonical SMILES for 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]propan-1-one;2-(5,7-dibromo-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 is Brc1cc(Br)c2[nH]cc(C3=Nc4c(c5cccnc5c5ncccc45)C3)c2c1.CCC(=O)n1cc(-c2nc3c4cc(N)ccc4c4ccccc4c3[nH]2)c2ccccc21.COn1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.NCC(=O)n1c(-c2c[nH]c3ccccc23)[nH+]c2c3cc(N)ccc3c3ccccc3c21.c1ccc(COc2ccc3[nH]cc(C4=Nc5c(c6cccnc6c6ncccc56)C4)c3c2)cc1.

What is the InChIKey of 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]propan-1-one;2-(5,7-dibromo-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?

The InChIKey is LAAUWUPVODJEJC-UHFFFAOYSA-O. The full InChI is InChI=1S/2C29H20N4O.C26H20N4O.C25H19N5O.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;1-2-6-18(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;1-2-23(31)30-14-21(18-8-5-6-10-22(18)30)26-28-24-19-9-4-3-7-16(19)17-12-11-15(27)13-20(17)25(24)29-26;26-12-22(31)30-24-18-7-2-1-5-15(18)16-10-9-14(27)11-19(16)23(24)29-25(30)20-13-28-21-8-4-3-6-17(20)21;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;1-14,16,32H,15,17H2;3-14H,2,27H2,1H3,(H,28,29);1-11,13,28H,12,26-27H2;1-8,10,27H,9H2/p+1.

What are the key properties of 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]propan-1-one;2-(5,7-dibromo-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-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]propan-1-one;2-(5,7-dibromo-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 has a molecular weight of 2184.13 g/mol, XLogP of 29.34, 12 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]propan-1-one;2-(5,7-dibromo-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 is sourced from PubChem (CID 161407907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).