1-(azepan-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]ethanone;2-(1-cyclopentylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;2-(5-methoxy-1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

C135H117N27O3 — CID 158802978

About 1-(azepan-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]ethanone;2-(1-cyclopentylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;2-(5-methoxy-1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

1-(azepan-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]ethanone;2-(1-cyclopentylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;2-(5-methoxy-1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 158802978) has the molecular formula C135H117N27O3 and a molecular weight of 2165.61 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]ethanone;2-(1-cyclopentylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;2-(5-methoxy-1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

• Compound Name: 1-(azepan-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]ethanone;2-(1-cyclopentylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;2-(5-methoxy-1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
• PubChem CID: 158802978
• Molecular Formula: C135H117N27O3
• Molecular Weight: 2165.61 g/mol
• Exact Mass: 2163.98
• IUPAC Name: 1-(azepan-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]ethanone;2-(1-cyclopentylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;2-(5-methoxy-1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
• SMILES: CC(C)n1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21.COc1ccc2c(c1)c(-c1nc3c4cccnc4c4ncccc4c3[nH]1)cn2C(C)C.Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc2n1CC(=O)N1CCC(C)CC1.Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc2n1CC(=O)N1CCCCCC1.c1ccc2c(c1)c(-c1nc3c4cccnc4c4ncccc4c3[nH]1)cn2C1CCCC1
• InChI: InChI=1S/2C30H28N6O.C26H21N5.C25H21N5O.C24H19N5/c1-18-11-15-35(16-12-18)24(37)17-36-19(2)25(20-7-3-4-10-23(20)36)30-33-28-21-8-5-13-31-26(21)27-22(29(28)34-30)9-6-14-32-27;1-19-25(20-10-4-5-13-23(20)36(19)18-24(37)35-16-6-2-3-7-17-35)30-33-28-21-11-8-14-31-26(21)27-22(29(28)34-30)12-9-15-32-27;1-2-8-16(7-1)31-15-20(17-9-3-4-12-21(17)31)26-29-24-18-10-5-13-27-22(18)23-19(25(24)30-26)11-6-14-28-23;1-14(2)30-13-19(18-12-15(31-3)8-9-20(18)30)25-28-23-16-6-4-10-26-21(16)22-17(24(23)29-25)7-5-11-27-22;1-14(2)29-13-18(15-7-3-4-10-19(15)29)24-27-22-16-8-5-11-25-20(16)21-17(23(22)28-24)9-6-12-26-21/h3-10,13-14,18H,11-12,15-17H2,1-2H3,(H,33,34);4-5,8-15H,2-3,6-7,16-18H2,1H3,(H,33,34);3-6,9-16H,1-2,7-8H2,(H,29,30);4-14H,1-3H3,(H,28,29);3-14H,1-2H3,(H,27,28)
• InChIKey: ITSKSRAHJMQBJK-UHFFFAOYSA-N
• XLogP: 29.97
• TPSA: 346.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2165.61
LogP ≤ 5	29.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]ethanone;2-(1-cyclopentylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;2-(5-methoxy-1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

The IUPAC name of 1-(azepan-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]ethanone;2-(1-cyclopentylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;2-(5-methoxy-1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 158802978) is 1-(azepan-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]ethanone;2-(1-cyclopentylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;2-(5-methoxy-1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

What is the SMILES notation for 1-(azepan-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]ethanone;2-(1-cyclopentylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;2-(5-methoxy-1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

The canonical SMILES for 1-(azepan-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]ethanone;2-(1-cyclopentylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;2-(5-methoxy-1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is CC(C)n1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21.COc1ccc2c(c1)c(-c1nc3c4cccnc4c4ncccc4c3[nH]1)cn2C(C)C.Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc2n1CC(=O)N1CCC(C)CC1.Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc2n1CC(=O)N1CCCCCC1.c1ccc2c(c1)c(-c1nc3c4cccnc4c4ncccc4c3[nH]1)cn2C1CCCC1.

What is the InChIKey of 1-(azepan-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]ethanone;2-(1-cyclopentylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;2-(5-methoxy-1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

The InChIKey is ITSKSRAHJMQBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H28N6O.C26H21N5.C25H21N5O.C24H19N5/c1-18-11-15-35(16-12-18)24(37)17-36-19(2)25(20-7-3-4-10-23(20)36)30-33-28-21-8-5-13-31-26(21)27-22(29(28)34-30)9-6-14-32-27;1-19-25(20-10-4-5-13-23(20)36(19)18-24(37)35-16-6-2-3-7-17-35)30-33-28-21-11-8-14-31-26(21)27-22(29(28)34-30)12-9-15-32-27;1-2-8-16(7-1)31-15-20(17-9-3-4-12-21(17)31)26-29-24-18-10-5-13-27-22(18)23-19(25(24)30-26)11-6-14-28-23;1-14(2)30-13-19(18-12-15(31-3)8-9-20(18)30)25-28-23-16-6-4-10-26-21(16)22-17(24(23)29-25)7-5-11-27-22;1-14(2)29-13-18(15-7-3-4-10-19(15)29)24-27-22-16-8-5-11-25-20(16)21-17(23(22)28-24)9-6-12-26-21/h3-10,13-14,18H,11-12,15-17H2,1-2H3,(H,33,34);4-5,8-15H,2-3,6-7,16-18H2,1H3,(H,33,34);3-6,9-16H,1-2,7-8H2,(H,29,30);4-14H,1-3H3,(H,28,29);3-14H,1-2H3,(H,27,28).

What are the key properties of 1-(azepan-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]ethanone;2-(1-cyclopentylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;2-(5-methoxy-1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

1-(azepan-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]ethanone;2-(1-cyclopentylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;2-(5-methoxy-1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 2165.61 g/mol, XLogP of 29.97, 13 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(azepan-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]ethanone;2-(1-cyclopentylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;2-(5-methoxy-1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 158802978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).