bis(2-[2-tert-butyl-1-(2-chloroethyl)-2,3-dihydroindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2,3-dihydroindol-1-yl]propanenitrile;3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]propanoic acid;bis(2-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);bis(2-chloroacetaldehyde);methanol

C159H171Cl4F12N7O23 — CID 157117769

About bis(2-[2-tert-butyl-1-(2-chloroethyl)-2,3-dihydroindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2,3-dihydroindol-1-yl]propanenitrile;3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]propanoic acid;bis(2-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);bis(2-chloroacetaldehyde);methanol

bis(2-[2-tert-butyl-1-(2-chloroethyl)-2,3-dihydroindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2,3-dihydroindol-1-yl]propanenitrile;3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]propanoic acid;bis(2-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);bis(2-chloroacetaldehyde);methanol (PubChem CID 157117769) has the molecular formula C159H171Cl4F12N7O23 and a molecular weight of 2917.93 g/mol. Its IUPAC name is bis(2-[2-tert-butyl-1-(2-chloroethyl)-2,3-dihydroindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2,3-dihydroindol-1-yl]propanenitrile;3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]propanoic acid;bis(2-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);bis(2-chloroacetaldehyde);methanol.

Molecular Properties

• Compound Name: bis(2-[2-tert-butyl-1-(2-chloroethyl)-2,3-dihydroindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2,3-dihydroindol-1-yl]propanenitrile;3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]propanoic acid;bis(2-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);bis(2-chloroacetaldehyde);methanol
• PubChem CID: 157117769
• Molecular Formula: C159H171Cl4F12N7O23
• Molecular Weight: 2917.93 g/mol
• Exact Mass: 2914.10
• IUPAC Name: bis(2-[2-tert-butyl-1-(2-chloroethyl)-2,3-dihydroindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2,3-dihydroindol-1-yl]propanenitrile;3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]propanoic acid;bis(2-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);bis(2-chloroacetaldehyde);methanol
• SMILES: CC(C)(C)C1Cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2N1.CC(C)(C)C1Cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2N1.CC(C)(C)C1Cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2N1CCC#N.CC(C)(C)C1Cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2N1CCCl.CC(C)(C)C1Cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2N1CCCl.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CCC(=O)O.CO.O=CCCl.O=CCCl
• InChI: InChI=1S/C27H28F2N2O3.C27H27F2NO5.2C26H28ClF2NO3.2C24H25F2NO3.2C2H3ClO.CH4O/c1-25(2,3)23-15-18-13-17(5-7-20(18)31(23)12-4-11-30)14-24(32)26(9-10-26)19-6-8-21-22(16-19)34-27(28,29)33-21;1-25(2,3)22-14-17-12-16(4-6-19(17)30(22)11-8-24(32)33)13-23(31)26(9-10-26)18-5-7-20-21(15-18)35-27(28,29)34-20;2*1-24(2,3)22-14-17-12-16(4-6-19(17)30(22)11-10-27)13-23(31)25(8-9-25)18-5-7-20-21(15-18)33-26(28,29)32-20;2*1-22(2,3)20-12-15-10-14(4-6-17(15)27-20)11-21(28)23(8-9-23)16-5-7-18-19(13-16)30-24(25,26)29-18;2*3-1-2-4;1-2/h5-8,13,16,23H,4,9-10,12,14-15H2,1-3H3;4-7,12,14-15H,8-11,13H2,1-3H3,(H,32,33);2*4-7,12,15,22H,8-11,13-14H2,1-3H3;2*4-7,10,13,20,27H,8-9,11-12H2,1-3H3;2*2H,1H2;2H,1H3
• InChIKey: AHPIDQLGPHTZFW-UHFFFAOYSA-N
• XLogP: 33.78
• TPSA: 367.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 35
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2917.93
LogP ≤ 5	33.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-[2-tert-butyl-1-(2-chloroethyl)-2,3-dihydroindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2,3-dihydroindol-1-yl]propanenitrile;3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]propanoic acid;bis(2-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);bis(2-chloroacetaldehyde);methanol?

The IUPAC name of bis(2-[2-tert-butyl-1-(2-chloroethyl)-2,3-dihydroindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2,3-dihydroindol-1-yl]propanenitrile;3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]propanoic acid;bis(2-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);bis(2-chloroacetaldehyde);methanol (CID 157117769) is bis(2-[2-tert-butyl-1-(2-chloroethyl)-2,3-dihydroindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2,3-dihydroindol-1-yl]propanenitrile;3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]propanoic acid;bis(2-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);bis(2-chloroacetaldehyde);methanol.

What is the SMILES notation for bis(2-[2-tert-butyl-1-(2-chloroethyl)-2,3-dihydroindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2,3-dihydroindol-1-yl]propanenitrile;3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]propanoic acid;bis(2-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);bis(2-chloroacetaldehyde);methanol?

The canonical SMILES for bis(2-[2-tert-butyl-1-(2-chloroethyl)-2,3-dihydroindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2,3-dihydroindol-1-yl]propanenitrile;3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]propanoic acid;bis(2-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);bis(2-chloroacetaldehyde);methanol is CC(C)(C)C1Cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2N1.CC(C)(C)C1Cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2N1.CC(C)(C)C1Cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2N1CCC#N.CC(C)(C)C1Cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2N1CCCl.CC(C)(C)C1Cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2N1CCCl.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CCC(=O)O.CO.O=CCCl.O=CCCl.

What is the InChIKey of bis(2-[2-tert-butyl-1-(2-chloroethyl)-2,3-dihydroindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2,3-dihydroindol-1-yl]propanenitrile;3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]propanoic acid;bis(2-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);bis(2-chloroacetaldehyde);methanol?

The InChIKey is AHPIDQLGPHTZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N2O3.C27H27F2NO5.2C26H28ClF2NO3.2C24H25F2NO3.2C2H3ClO.CH4O/c1-25(2,3)23-15-18-13-17(5-7-20(18)31(23)12-4-11-30)14-24(32)26(9-10-26)19-6-8-21-22(16-19)34-27(28,29)33-21;1-25(2,3)22-14-17-12-16(4-6-19(17)30(22)11-8-24(32)33)13-23(31)26(9-10-26)18-5-7-20-21(15-18)35-27(28,29)34-20;2*1-24(2,3)22-14-17-12-16(4-6-19(17)30(22)11-10-27)13-23(31)25(8-9-25)18-5-7-20-21(15-18)33-26(28,29)32-20;2*1-22(2,3)20-12-15-10-14(4-6-17(15)27-20)11-21(28)23(8-9-23)16-5-7-18-19(13-16)30-24(25,26)29-18;2*3-1-2-4;1-2/h5-8,13,16,23H,4,9-10,12,14-15H2,1-3H3;4-7,12,14-15H,8-11,13H2,1-3H3,(H,32,33);2*4-7,12,15,22H,8-11,13-14H2,1-3H3;2*4-7,10,13,20,27H,8-9,11-12H2,1-3H3;2*2H,1H2;2H,1H3.

What are the key properties of bis(2-[2-tert-butyl-1-(2-chloroethyl)-2,3-dihydroindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2,3-dihydroindol-1-yl]propanenitrile;3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]propanoic acid;bis(2-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);bis(2-chloroacetaldehyde);methanol?

bis(2-[2-tert-butyl-1-(2-chloroethyl)-2,3-dihydroindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2,3-dihydroindol-1-yl]propanenitrile;3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]propanoic acid;bis(2-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);bis(2-chloroacetaldehyde);methanol has a molecular weight of 2917.93 g/mol, XLogP of 33.78, 35 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[2-tert-butyl-1-(2-chloroethyl)-2,3-dihydroindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2,3-dihydroindol-1-yl]propanenitrile;3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]propanoic acid;bis(2-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);bis(2-chloroacetaldehyde);methanol is sourced from PubChem (CID 157117769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).