2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[3-(dimethylphosphorylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-(2-naphthalen-1-ylethynyl)-1H-indole-3-carbonitrile

C145H120ClN16O12P — CID 159484312

About 2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[3-(dimethylphosphorylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-(2-naphthalen-1-ylethynyl)-1H-indole-3-carbonitrile

2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[3-(dimethylphosphorylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-(2-naphthalen-1-ylethynyl)-1H-indole-3-carbonitrile (PubChem CID 159484312) has the molecular formula C145H120ClN16O12P and a molecular weight of 2345.08 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[3-(dimethylphosphorylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-(2-naphthalen-1-ylethynyl)-1H-indole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[3-(dimethylphosphorylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-(2-naphthalen-1-ylethynyl)-1H-indole-3-carbonitrile
• PubChem CID: 159484312
• Molecular Formula: C145H120ClN16O12P
• Molecular Weight: 2345.08 g/mol
• Exact Mass: 2342.87
• IUPAC Name: 2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[3-(dimethylphosphorylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-(2-naphthalen-1-ylethynyl)-1H-indole-3-carbonitrile
• SMILES: CCOc1ccc(-c2c(C#N)c3cc(OC)ccc3n2CC)cc1.CCn1c(C#Cc2ccc(NC(=O)COC)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2cccc(NP(C)(C)=O)c2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(C#Cc3ccc(C(C)(C)C)cc3)[nH]c2c1.COc1ccc2c(C#N)c(C#Cc3cccc(Cl)c3)[nH]c2c1.COc1ccc2c(C#N)c(C#Cc3cccc(O)c3)[nH]c2c1.COc1ccc2c(C#N)c(C#Cc3cccc4ccccc34)[nH]c2c1
• InChI: InChI=1S/C23H21N3O3.C22H22N3O2P.C22H14N2O.C22H20N2O.C20H20N2O2.C18H11ClN2O.C18H12N2O2/c1-4-26-21-12-10-18(29-3)13-19(21)20(14-24)22(26)11-7-16-5-8-17(9-6-16)25-23(27)15-28-2;1-5-25-21(20(15-23)19-11-10-18(27-2)14-22(19)25)12-9-16-7-6-8-17(13-16)24-28(3,4)26;1-25-17-10-11-19-20(14-23)21(24-22(19)13-17)12-9-16-7-4-6-15-5-2-3-8-18(15)16;1-22(2,3)16-8-5-15(6-9-16)7-12-20-19(14-23)18-11-10-17(25-4)13-21(18)24-20;1-4-22-19-11-10-16(23-3)12-17(19)18(13-21)20(22)14-6-8-15(9-7-14)24-5-2;1-22-14-6-7-15-16(11-20)17(21-18(15)10-14)8-5-12-3-2-4-13(19)9-12;1-22-14-6-7-15-16(11-19)17(20-18(15)10-14)8-5-12-3-2-4-13(21)9-12/h5-6,8-10,12-13H,4,15H2,1-3H3,(H,25,27);6-8,10-11,13-14H,5H2,1-4H3,(H,24,26);2-8,10-11,13,24H,1H3;5-6,8-11,13,24H,1-4H3;6-12H,4-5H2,1-3H3;2-4,6-7,9-10,21H,1H3;2-4,6-7,9-10,20-21H,1H3
• InChIKey: LXJWNVQWSCELBY-UHFFFAOYSA-N
• XLogP: 29.63
• TPSA: 405.98 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2345.08
LogP ≤ 5	29.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[3-(dimethylphosphorylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-(2-naphthalen-1-ylethynyl)-1H-indole-3-carbonitrile?

The IUPAC name of 2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[3-(dimethylphosphorylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-(2-naphthalen-1-ylethynyl)-1H-indole-3-carbonitrile (CID 159484312) is 2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[3-(dimethylphosphorylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-(2-naphthalen-1-ylethynyl)-1H-indole-3-carbonitrile.

What is the SMILES notation for 2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[3-(dimethylphosphorylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-(2-naphthalen-1-ylethynyl)-1H-indole-3-carbonitrile?

The canonical SMILES for 2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[3-(dimethylphosphorylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-(2-naphthalen-1-ylethynyl)-1H-indole-3-carbonitrile is CCOc1ccc(-c2c(C#N)c3cc(OC)ccc3n2CC)cc1.CCn1c(C#Cc2ccc(NC(=O)COC)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2cccc(NP(C)(C)=O)c2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(C#Cc3ccc(C(C)(C)C)cc3)[nH]c2c1.COc1ccc2c(C#N)c(C#Cc3cccc(Cl)c3)[nH]c2c1.COc1ccc2c(C#N)c(C#Cc3cccc(O)c3)[nH]c2c1.COc1ccc2c(C#N)c(C#Cc3cccc4ccccc34)[nH]c2c1.

What is the InChIKey of 2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[3-(dimethylphosphorylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-(2-naphthalen-1-ylethynyl)-1H-indole-3-carbonitrile?

The InChIKey is LXJWNVQWSCELBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3.C22H22N3O2P.C22H14N2O.C22H20N2O.C20H20N2O2.C18H11ClN2O.C18H12N2O2/c1-4-26-21-12-10-18(29-3)13-19(21)20(14-24)22(26)11-7-16-5-8-17(9-6-16)25-23(27)15-28-2;1-5-25-21(20(15-23)19-11-10-18(27-2)14-22(19)25)12-9-16-7-6-8-17(13-16)24-28(3,4)26;1-25-17-10-11-19-20(14-23)21(24-22(19)13-17)12-9-16-7-4-6-15-5-2-3-8-18(15)16;1-22(2,3)16-8-5-15(6-9-16)7-12-20-19(14-23)18-11-10-17(25-4)13-21(18)24-20;1-4-22-19-11-10-16(23-3)12-17(19)18(13-21)20(22)14-6-8-15(9-7-14)24-5-2;1-22-14-6-7-15-16(11-20)17(21-18(15)10-14)8-5-12-3-2-4-13(19)9-12;1-22-14-6-7-15-16(11-19)17(20-18(15)10-14)8-5-12-3-2-4-13(21)9-12/h5-6,8-10,12-13H,4,15H2,1-3H3,(H,25,27);6-8,10-11,13-14H,5H2,1-4H3,(H,24,26);2-8,10-11,13,24H,1H3;5-6,8-11,13,24H,1-4H3;6-12H,4-5H2,1-3H3;2-4,6-7,9-10,21H,1H3;2-4,6-7,9-10,20-21H,1H3.

What are the key properties of 2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[3-(dimethylphosphorylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-(2-naphthalen-1-ylethynyl)-1H-indole-3-carbonitrile?

2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[3-(dimethylphosphorylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-(2-naphthalen-1-ylethynyl)-1H-indole-3-carbonitrile has a molecular weight of 2345.08 g/mol, XLogP of 29.63, 18 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[3-(dimethylphosphorylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-(2-naphthalen-1-ylethynyl)-1H-indole-3-carbonitrile is sourced from PubChem (CID 159484312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).