3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole

C144H121F15IN7O5S3 — CID 162124398

IUPAC3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
SMILESC#Cc1c(-c2ccccc2)n(COC)c2cc(C)ccc12.COCn1c(-c2ccccc2)c(/C(=C\C(F)(F)F)c2cccs2)c2ccc(C)cc21.COCn1c(-c2ccccc2)c(/C(I)=C\C(F)(F)F)c2ccc(C)cc21.COCn1c(-c2ccccc2)c(C#CC(F)(F)F)c2ccc(C)cc21.COCn1c(-c2ccccc2)cc2ccc(C)cc21.Cc1ccc2c(/C(=C\C(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C24H20F3NOS.C22H18F3NS.C22H16F3NS.C20H17F3INO.C20H16F3NO.C19H17NO.C17H17NO/c1-16-10-11-18-20(13-16)28(15-29-2)23(17-7-4-3-5-8-17)22(18)19(14-24(25,26)27)21-9-6-12-30-21;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;1-13-8-9-15-17(10-13)25(12-26-2)19(14-6-4-3-5-7-14)18(15)16(24)11-20(21,22)23;1-14-8-9-16-17(10-11-20(21,22)23)19(15-6-4-3-5-7-15)24(13-25-2)18(16)12-14;1-4-16-17-11-10-14(2)12-18(17)20(13-21-3)19(16)15-8-6-5-7-9-15;1-13-8-9-15-11-17(14-6-4-3-5-7-14)18(12-19-2)16(15)10-13/h3-14H,15H2,1-2H3;2-12,17,26H,13H2,1H3;2-13,26H,1H3;3-11H,12H2,1-2H3;3-9,12H,13H2,1-2H3;1,5-12H,13H2,2-3H3;3-11H,12H2,1-2H3/b19-14-;;17-13-;16-11+;;;
InChIKeyZHVJQLWIQDCIKU-RRUBGYJTSA-N
MW2537.67 g/mol
LogP41.88
Rot. Bonds25

About 3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole

3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole (PubChem CID 162124398) has the molecular formula C144H121F15IN7O5S3 and a molecular weight of 2537.67 g/mol. Its IUPAC name is 3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole.

Molecular Properties

Compound Name3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
PubChem CID162124398
Molecular FormulaC144H121F15IN7O5S3
Molecular Weight2537.67 g/mol
Exact Mass2535.74
IUPAC Name3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
SMILESC#Cc1c(-c2ccccc2)n(COC)c2cc(C)ccc12.COCn1c(-c2ccccc2)c(/C(=C\C(F)(F)F)c2cccs2)c2ccc(C)cc21.COCn1c(-c2ccccc2)c(/C(I)=C\C(F)(F)F)c2ccc(C)cc21.COCn1c(-c2ccccc2)c(C#CC(F)(F)F)c2ccc(C)cc21.COCn1c(-c2ccccc2)cc2ccc(C)cc21.Cc1ccc2c(/C(=C\C(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C24H20F3NOS.C22H18F3NS.C22H16F3NS.C20H17F3INO.C20H16F3NO.C19H17NO.C17H17NO/c1-16-10-11-18-20(13-16)28(15-29-2)23(17-7-4-3-5-8-17)22(18)19(14-24(25,26)27)21-9-6-12-30-21;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;1-13-8-9-15-17(10-13)25(12-26-2)19(14-6-4-3-5-7-14)18(15)16(24)11-20(21,22)23;1-14-8-9-16-17(10-11-20(21,22)23)19(15-6-4-3-5-7-15)24(13-25-2)18(16)12-14;1-4-16-17-11-10-14(2)12-18(17)20(13-21-3)19(16)15-8-6-5-7-9-15;1-13-8-9-15-11-17(14-6-4-3-5-7-14)18(12-19-2)16(15)10-13/h3-14H,15H2,1-2H3;2-12,17,26H,13H2,1H3;2-13,26H,1H3;3-11H,12H2,1-2H3;3-9,12H,13H2,1-2H3;1,5-12H,13H2,2-3H3;3-11H,12H2,1-2H3/b19-14-;;17-13-;16-11+;;;
InChIKeyZHVJQLWIQDCIKU-RRUBGYJTSA-N
XLogP41.88
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002537.67
LogP ≤ 541.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
The IUPAC name of 3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole (CID 162124398) is 3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole.
What is the SMILES notation for 3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
The canonical SMILES for 3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole is C#Cc1c(-c2ccccc2)n(COC)c2cc(C)ccc12.COCn1c(-c2ccccc2)c(/C(=C\C(F)(F)F)c2cccs2)c2ccc(C)cc21.COCn1c(-c2ccccc2)c(/C(I)=C\C(F)(F)F)c2ccc(C)cc21.COCn1c(-c2ccccc2)c(C#CC(F)(F)F)c2ccc(C)cc21.COCn1c(-c2ccccc2)cc2ccc(C)cc21.Cc1ccc2c(/C(=C\C(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
The InChIKey is ZHVJQLWIQDCIKU-RRUBGYJTSA-N. The full InChI is InChI=1S/C24H20F3NOS.C22H18F3NS.C22H16F3NS.C20H17F3INO.C20H16F3NO.C19H17NO.C17H17NO/c1-16-10-11-18-20(13-16)28(15-29-2)23(17-7-4-3-5-8-17)22(18)19(14-24(25,26)27)21-9-6-12-30-21;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;1-13-8-9-15-17(10-13)25(12-26-2)19(14-6-4-3-5-7-14)18(15)16(24)11-20(21,22)23;1-14-8-9-16-17(10-11-20(21,22)23)19(15-6-4-3-5-7-15)24(13-25-2)18(16)12-14;1-4-16-17-11-10-14(2)12-18(17)20(13-21-3)19(16)15-8-6-5-7-9-15;1-13-8-9-15-11-17(14-6-4-3-5-7-14)18(12-19-2)16(15)10-13/h3-14H,15H2,1-2H3;2-12,17,26H,13H2,1H3;2-13,26H,1H3;3-11H,12H2,1-2H3;3-9,12H,13H2,1-2H3;1,5-12H,13H2,2-3H3;3-11H,12H2,1-2H3/b19-14-;;17-13-;16-11+;;;.
What are the key properties of 3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole has a molecular weight of 2537.67 g/mol, XLogP of 41.88, 25 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenylindole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-iodoprop-1-enyl]indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoroprop-1-ynyl)indole;1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole;6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole is sourced from PubChem (CID 162124398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).