5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol

C138H153ClF3N7O7 — CID 160526025

About 5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol

5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol (PubChem CID 160526025) has the molecular formula C138H153ClF3N7O7 and a molecular weight of 2114.23 g/mol. Its IUPAC name is 5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol.

Molecular Properties

• Compound Name: 5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol
• PubChem CID: 160526025
• Molecular Formula: C138H153ClF3N7O7
• Molecular Weight: 2114.23 g/mol
• Exact Mass: 2112.15
• IUPAC Name: 5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol
• SMILES: CC(C)Oc1cc(F)c(C2C3=C(C[C@@H](C)N2CC(C)(C)C)c2ccccc2C3)c(F)c1.CC/C(=C(/c1ccc(OC(C)C)cc1)c1ccc2[nH]ncc2c1)c1ccc(C)cc1Cl.CC/C(=C(/c1ccc(OC(C)C)cc1)c1ccc2[nH]ncc2c1)c1ccc(C)cc1F.CCC/C(=C(\c1ccccc1)c1ccc(OCCOC(C)C)cc1)c1ccccc1.Cc1ccc(-c2c(C)c3cc(O)ccc3n2Cc2ccc(OCCN(C)C(C)C)cc2)cc1
• InChI: InChI=1S/C29H34N2O2.C28H32O2.C27H27ClN2O.C27H33F2NO.C27H27FN2O/c1-20(2)30(5)16-17-33-26-13-8-23(9-14-26)19-31-28-15-12-25(32)18-27(28)22(4)29(31)24-10-6-21(3)7-11-24;1-4-11-27(23-12-7-5-8-13-23)28(24-14-9-6-10-15-24)25-16-18-26(19-17-25)30-21-20-29-22(2)3;1-5-23(24-12-6-18(4)14-25(24)28)27(19-7-10-22(11-8-19)31-17(2)3)20-9-13-26-21(15-20)16-29-30-26;1-16(2)31-19-13-23(28)25(24(29)14-19)26-22-12-18-9-7-8-10-20(18)21(22)11-17(3)30(26)15-27(4,5)6;1-5-23(24-12-6-18(4)14-25(24)28)27(19-7-10-22(11-8-19)31-17(2)3)20-9-13-26-21(15-20)16-29-30-26/h6-15,18,20,32H,16-17,19H2,1-5H3;5-10,12-19,22H,4,11,20-21H2,1-3H3;6-17H,5H2,1-4H3,(H,29,30);7-10,13-14,16-17,26H,11-12,15H2,1-6H3;6-17H,5H2,1-4H3,(H,29,30)/b;28-27-;27-23+;;27-23+/t;;;17-,26?;/m...1./s1
• InChIKey: QUXBEVWCMWKFFK-HBFYZHTMSA-N
• XLogP: 35.44
• TPSA: 144.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 34
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2114.23
LogP ≤ 5	35.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol?

The IUPAC name of 5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol (CID 160526025) is 5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol.

What is the SMILES notation for 5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol?

The canonical SMILES for 5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol is CC(C)Oc1cc(F)c(C2C3=C(C[C@@H](C)N2CC(C)(C)C)c2ccccc2C3)c(F)c1.CC/C(=C(/c1ccc(OC(C)C)cc1)c1ccc2[nH]ncc2c1)c1ccc(C)cc1Cl.CC/C(=C(/c1ccc(OC(C)C)cc1)c1ccc2[nH]ncc2c1)c1ccc(C)cc1F.CCC/C(=C(\c1ccccc1)c1ccc(OCCOC(C)C)cc1)c1ccccc1.Cc1ccc(-c2c(C)c3cc(O)ccc3n2Cc2ccc(OCCN(C)C(C)C)cc2)cc1.

What is the InChIKey of 5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol?

The InChIKey is QUXBEVWCMWKFFK-HBFYZHTMSA-N. The full InChI is InChI=1S/C29H34N2O2.C28H32O2.C27H27ClN2O.C27H33F2NO.C27H27FN2O/c1-20(2)30(5)16-17-33-26-13-8-23(9-14-26)19-31-28-15-12-25(32)18-27(28)22(4)29(31)24-10-6-21(3)7-11-24;1-4-11-27(23-12-7-5-8-13-23)28(24-14-9-6-10-15-24)25-16-18-26(19-17-25)30-21-20-29-22(2)3;1-5-23(24-12-6-18(4)14-25(24)28)27(19-7-10-22(11-8-19)31-17(2)3)20-9-13-26-21(15-20)16-29-30-26;1-16(2)31-19-13-23(28)25(24(29)14-19)26-22-12-18-9-7-8-10-20(18)21(22)11-17(3)30(26)15-27(4,5)6;1-5-23(24-12-6-18(4)14-25(24)28)27(19-7-10-22(11-8-19)31-17(2)3)20-9-13-26-21(15-20)16-29-30-26/h6-15,18,20,32H,16-17,19H2,1-5H3;5-10,12-19,22H,4,11,20-21H2,1-3H3;6-17H,5H2,1-4H3,(H,29,30);7-10,13-14,16-17,26H,11-12,15H2,1-6H3;6-17H,5H2,1-4H3,(H,29,30)/b;28-27-;27-23+;;27-23+/t;;;17-,26?;/m...1./s1.

What are the key properties of 5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol?

5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol has a molecular weight of 2114.23 g/mol, XLogP of 35.44, 34 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol is sourced from PubChem (CID 160526025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).