2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile

C123H99F15N14O4 — CID 157480518

About 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile

2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile (PubChem CID 157480518) has the molecular formula C123H99F15N14O4 and a molecular weight of 2122.21 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile
• PubChem CID: 157480518
• Molecular Formula: C123H99F15N14O4
• Molecular Weight: 2122.21 g/mol
• Exact Mass: 2120.77
• IUPAC Name: 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile
• SMILES: CCC1C(NC(C)=O)=C(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(N(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(N)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2cccc(OC)c2)c(C#N)c2ccc(C(F)(F)F)cc21
• InChI: InChI=1S/C24H21F3N2.C22H18F3N3.2C21H15F3N2O.C20H14F3N3.C15H16N2O2/c1-5-29-21(13-8-16-6-9-17(10-7-16)23(2,3)4)20(15-28)19-12-11-18(14-22(19)29)24(25,26)27;1-4-28-20(12-7-15-5-9-17(10-6-15)27(2)3)19(14-26)18-11-8-16(13-21(18)28)22(23,24)25;1-3-26-19(11-6-14-4-8-16(27-2)9-5-14)18(13-25)17-10-7-15(12-20(17)26)21(22,23)24;1-3-26-19(10-7-14-5-4-6-16(11-14)27-2)18(13-25)17-9-8-15(12-20(17)26)21(22,23)24;1-2-26-18(10-5-13-3-7-15(25)8-4-13)17(12-24)16-9-6-14(11-19(16)26)20(21,22)23;1-4-11-13-7-10(19-3)5-6-12(13)14(8-16)15(11)17-9(2)18/h6-7,9-12,14H,5H2,1-4H3;5-6,8-11,13H,4H2,1-3H3;4-5,7-10,12H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;3-4,6-9,11H,2,25H2,1H3;5-7,11H,4H2,1-3H3,(H,17,18)
• InChIKey: BWCKHDKTASCHSN-UHFFFAOYSA-N
• XLogP: 28.29
• TPSA: 253.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2122.21
LogP ≤ 5	28.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile?

The IUPAC name of 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile (CID 157480518) is 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile.

What is the SMILES notation for 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile?

The canonical SMILES for 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile is CCC1C(NC(C)=O)=C(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(N(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(N)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2cccc(OC)c2)c(C#N)c2ccc(C(F)(F)F)cc21.

What is the InChIKey of 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile?

The InChIKey is BWCKHDKTASCHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2.C22H18F3N3.2C21H15F3N2O.C20H14F3N3.C15H16N2O2/c1-5-29-21(13-8-16-6-9-17(10-7-16)23(2,3)4)20(15-28)19-12-11-18(14-22(19)29)24(25,26)27;1-4-28-20(12-7-15-5-9-17(10-6-15)27(2)3)19(14-26)18-11-8-16(13-21(18)28)22(23,24)25;1-3-26-19(11-6-14-4-8-16(27-2)9-5-14)18(13-25)17-10-7-15(12-20(17)26)21(22,23)24;1-3-26-19(10-7-14-5-4-6-16(11-14)27-2)18(13-25)17-9-8-15(12-20(17)26)21(22,23)24;1-2-26-18(10-5-13-3-7-15(25)8-4-13)17(12-24)16-9-6-14(11-19(16)26)20(21,22)23;1-4-11-13-7-10(19-3)5-6-12(13)14(8-16)15(11)17-9(2)18/h6-7,9-12,14H,5H2,1-4H3;5-6,8-11,13H,4H2,1-3H3;4-5,7-10,12H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;3-4,6-9,11H,2,25H2,1H3;5-7,11H,4H2,1-3H3,(H,17,18).

What are the key properties of 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile?

2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile has a molecular weight of 2122.21 g/mol, XLogP of 28.29, 11 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile is sourced from PubChem (CID 157480518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).