3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile;3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-thiophen-2-ylmethyl]propanedinitrile;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one

C186H152F15N13O2S2 — CID 161433450

About 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile;3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-thiophen-2-ylmethyl]propanedinitrile;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one

3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile;3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-thiophen-2-ylmethyl]propanedinitrile;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one (PubChem CID 161433450) has the molecular formula C186H152F15N13O2S2 and a molecular weight of 2950.45 g/mol. Its IUPAC name is 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile;3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-thiophen-2-ylmethyl]propanedinitrile;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one.

Molecular Properties

• Compound Name: 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile;3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-thiophen-2-ylmethyl]propanedinitrile;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one
• PubChem CID: 161433450
• Molecular Formula: C186H152F15N13O2S2
• Molecular Weight: 2950.45 g/mol
• Exact Mass: 2948.14
• IUPAC Name: 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile;3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-thiophen-2-ylmethyl]propanedinitrile;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one
• SMILES: Cc1ccc2c(C(C(=O)C(F)(F)F)c3ccccc3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC#N)c3ccccc3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3ccccc3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3ccco3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC3CC3)CC(F)(F)F)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(c3ccccc3)C(C#N)C#N)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(c3cccs3)C(C#N)C#N)c(-c3ccccc3)[nH]c2c1
• InChI: InChI=1S/C25H19N3.C24H18F3NO.C24H20F3N.C24H20N2.C23H17N3S.C22H18F3NO.C22H18F3NS.C22H22F3N/c1-17-12-13-21-22(14-17)28-25(19-10-6-3-7-11-19)24(21)23(20(15-26)16-27)18-8-4-2-5-9-18;1-15-12-13-18-19(14-15)28-22(17-10-6-3-7-11-17)21(18)20(23(29)24(25,26)27)16-8-4-2-5-9-16;1-16-12-13-19-21(14-16)28-23(18-10-6-3-7-11-18)22(19)20(15-24(25,26)27)17-8-4-2-5-9-17;1-17-12-13-21-22(16-17)26-24(19-10-6-3-7-11-19)23(21)20(14-15-25)18-8-4-2-5-9-18;1-15-9-10-18-19(12-15)26-23(16-6-3-2-4-7-16)22(18)21(17(13-24)14-25)20-8-5-11-27-20;2*1-14-9-10-16-18(12-14)26-21(15-6-3-2-4-7-15)20(16)17(13-22(23,24)25)19-8-5-11-27-19;1-14-7-10-18-19(11-14)26-21(16-5-3-2-4-6-16)20(18)17(12-15-8-9-15)13-22(23,24)25/h2-14,20,23,28H,1H3;2-14,20,28H,1H3;2-14,20,28H,15H2,1H3;2-13,16,20,26H,14H2,1H3;2-12,17,21,26H,1H3;2*2-12,17,26H,13H2,1H3;2-7,10-11,15,17,26H,8-9,12-13H2,1H3
• InChIKey: VYIBVRDVWCZAQE-UHFFFAOYSA-N
• XLogP: 52.85
• TPSA: 275.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 33
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2950.45
LogP ≤ 5	52.85
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile;3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-thiophen-2-ylmethyl]propanedinitrile;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one?

The IUPAC name of 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile;3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-thiophen-2-ylmethyl]propanedinitrile;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one (CID 161433450) is 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile;3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-thiophen-2-ylmethyl]propanedinitrile;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one.

What is the SMILES notation for 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile;3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-thiophen-2-ylmethyl]propanedinitrile;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one?

The canonical SMILES for 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile;3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-thiophen-2-ylmethyl]propanedinitrile;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one is Cc1ccc2c(C(C(=O)C(F)(F)F)c3ccccc3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC#N)c3ccccc3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3ccccc3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3ccco3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC3CC3)CC(F)(F)F)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(c3ccccc3)C(C#N)C#N)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(c3cccs3)C(C#N)C#N)c(-c3ccccc3)[nH]c2c1.

What is the InChIKey of 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile;3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-thiophen-2-ylmethyl]propanedinitrile;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one?

The InChIKey is VYIBVRDVWCZAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3.C24H18F3NO.C24H20F3N.C24H20N2.C23H17N3S.C22H18F3NO.C22H18F3NS.C22H22F3N/c1-17-12-13-21-22(14-17)28-25(19-10-6-3-7-11-19)24(21)23(20(15-26)16-27)18-8-4-2-5-9-18;1-15-12-13-18-19(14-15)28-22(17-10-6-3-7-11-17)21(18)20(23(29)24(25,26)27)16-8-4-2-5-9-16;1-16-12-13-19-21(14-16)28-23(18-10-6-3-7-11-18)22(19)20(15-24(25,26)27)17-8-4-2-5-9-17;1-17-12-13-21-22(16-17)26-24(19-10-6-3-7-11-19)23(21)20(14-15-25)18-8-4-2-5-9-18;1-15-9-10-18-19(12-15)26-23(16-6-3-2-4-7-16)22(18)21(17(13-24)14-25)20-8-5-11-27-20;2*1-14-9-10-16-18(12-14)26-21(15-6-3-2-4-7-15)20(16)17(13-22(23,24)25)19-8-5-11-27-19;1-14-7-10-18-19(11-14)26-21(16-5-3-2-4-6-16)20(18)17(12-15-8-9-15)13-22(23,24)25/h2-14,20,23,28H,1H3;2-14,20,28H,1H3;2-14,20,28H,15H2,1H3;2-13,16,20,26H,14H2,1H3;2-12,17,21,26H,1H3;2*2-12,17,26H,13H2,1H3;2-7,10-11,15,17,26H,8-9,12-13H2,1H3.

What are the key properties of 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile;3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-thiophen-2-ylmethyl]propanedinitrile;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one?

3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile;3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-thiophen-2-ylmethyl]propanedinitrile;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one has a molecular weight of 2950.45 g/mol, XLogP of 52.85, 33 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile;3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-thiophen-2-ylmethyl]propanedinitrile;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one is sourced from PubChem (CID 161433450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).