[3-[(E)-[(E)-1-(1-benzothiophen-2-yl)ethylidenehydrazinylidene]methyl]-4-(2-fluoro-4-methylphenyl)phenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-difluorobenzoate;(2,4-dimethylphenyl) 3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxybenzoate;(2,4-dimethylphenyl) 6-[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalene-2-carboxylate;(2,4-dimethylphenyl) 6-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-(quinolin-2-ylhydrazinylidene)methyl]naphthalene-2-carboxylate

C169H158F3N11O26S3 — CID 172960321

About [3-[(E)-[(E)-1-(1-benzothiophen-2-yl)ethylidenehydrazinylidene]methyl]-4-(2-fluoro-4-methylphenyl)phenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-difluorobenzoate;(2,4-dimethylphenyl) 3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxybenzoate;(2,4-dimethylphenyl) 6-[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalene-2-carboxylate;(2,4-dimethylphenyl) 6-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-(quinolin-2-ylhydrazinylidene)methyl]naphthalene-2-carboxylate

[3-[(E)-[(E)-1-(1-benzothiophen-2-yl)ethylidenehydrazinylidene]methyl]-4-(2-fluoro-4-methylphenyl)phenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-difluorobenzoate;(2,4-dimethylphenyl) 3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxybenzoate;(2,4-dimethylphenyl) 6-[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalene-2-carboxylate;(2,4-dimethylphenyl) 6-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-(quinolin-2-ylhydrazinylidene)methyl]naphthalene-2-carboxylate (PubChem CID 172960321) has the molecular formula C169H158F3N11O26S3 and a molecular weight of 2912.37 g/mol. Its IUPAC name is [3-[(E)-[(E)-1-(1-benzothiophen-2-yl)ethylidenehydrazinylidene]methyl]-4-(2-fluoro-4-methylphenyl)phenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-difluorobenzoate;(2,4-dimethylphenyl) 3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxybenzoate;(2,4-dimethylphenyl) 6-[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalene-2-carboxylate;(2,4-dimethylphenyl) 6-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-(quinolin-2-ylhydrazinylidene)methyl]naphthalene-2-carboxylate.

Molecular Properties

• Compound Name: [3-[(E)-[(E)-1-(1-benzothiophen-2-yl)ethylidenehydrazinylidene]methyl]-4-(2-fluoro-4-methylphenyl)phenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-difluorobenzoate;(2,4-dimethylphenyl) 3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxybenzoate;(2,4-dimethylphenyl) 6-[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalene-2-carboxylate;(2,4-dimethylphenyl) 6-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-(quinolin-2-ylhydrazinylidene)methyl]naphthalene-2-carboxylate
• PubChem CID: 172960321
• Molecular Formula: C169H158F3N11O26S3
• Molecular Weight: 2912.37 g/mol
• Exact Mass: 2910.05
• IUPAC Name: [3-[(E)-[(E)-1-(1-benzothiophen-2-yl)ethylidenehydrazinylidene]methyl]-4-(2-fluoro-4-methylphenyl)phenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-difluorobenzoate;(2,4-dimethylphenyl) 3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxybenzoate;(2,4-dimethylphenyl) 6-[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalene-2-carboxylate;(2,4-dimethylphenyl) 6-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-(quinolin-2-ylhydrazinylidene)methyl]naphthalene-2-carboxylate
• SMILES: C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc3cc(C(=O)Oc4ccc(C)cc4C)ccc3c2/C=N/Nc2ccc3ccccc3n2)cc1.C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3C)cc2/C=N/N(CCCC)c2nc3ccccc3s2)cc1.C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc3cc(C(=O)Oc4ccc(C)cc4C)ccc3c2)cc1/C=N/N(C)c1nc2ccccc2s1.CCC1(COCCCCCCOc2c(F)cc(C(=O)Oc3ccc(-c4ccc(C)cc4F)c(/C=N/N=C(\C)c4cc5ccccc5s4)c3)cc2F)COC1
• InChI: InChI=1S/C45H41N3O7.C43H43F3N2O5S.C41H35N3O7S.C40H39N3O7S/c1-4-43(49)53-26-10-6-5-9-25-52-36-19-14-33(15-20-36)44(50)55-41-23-17-34-28-35(45(51)54-40-22-13-30(2)27-31(40)3)16-21-37(34)38(41)29-46-48-42-24-18-32-11-7-8-12-39(32)47-42;1-4-43(26-51-27-43)25-50-17-9-5-6-10-18-52-41-37(45)21-31(22-38(41)46)42(49)53-33-14-16-34(35-15-13-28(2)19-36(35)44)32(20-33)24-47-48-29(3)40-23-30-11-7-8-12-39(30)54-40;1-5-38(45)49-20-8-19-48-36-18-15-31(23-32(36)25-42-44(4)41-43-34-9-6-7-10-37(34)52-41)39(46)50-33-16-14-28-22-30(13-12-29(28)24-33)40(47)51-35-17-11-26(2)21-27(35)3;1-5-7-21-43(40-42-33-11-8-9-12-36(33)51-40)41-26-31-25-30(39(46)49-34-19-13-27(3)24-28(34)4)16-20-35(31)50-38(45)29-14-17-32(18-15-29)47-22-10-23-48-37(44)6-2/h4,7-8,11-24,27-29H,1,5-6,9-10,25-26H2,2-3H3,(H,47,48);7-8,11-16,19-24H,4-6,9-10,17-18,25-27H2,1-3H3;5-7,9-18,21-25H,1,8,19-20H2,2-4H3;6,8-9,11-20,24-26H,2,5,7,10,21-23H2,1,3-4H3/b46-29+;47-24+,48-29+;42-25+;41-26+
• InChIKey: FHZSVFJWVXPUAM-KXMDQFNASA-N
• XLogP: 37.26
• TPSA: 437.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 40
• Rotatable Bonds: 62
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2912.37
LogP ≤ 5	37.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-[(E)-1-(1-benzothiophen-2-yl)ethylidenehydrazinylidene]methyl]-4-(2-fluoro-4-methylphenyl)phenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-difluorobenzoate;(2,4-dimethylphenyl) 3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxybenzoate;(2,4-dimethylphenyl) 6-[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalene-2-carboxylate;(2,4-dimethylphenyl) 6-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-(quinolin-2-ylhydrazinylidene)methyl]naphthalene-2-carboxylate?

The IUPAC name of [3-[(E)-[(E)-1-(1-benzothiophen-2-yl)ethylidenehydrazinylidene]methyl]-4-(2-fluoro-4-methylphenyl)phenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-difluorobenzoate;(2,4-dimethylphenyl) 3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxybenzoate;(2,4-dimethylphenyl) 6-[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalene-2-carboxylate;(2,4-dimethylphenyl) 6-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-(quinolin-2-ylhydrazinylidene)methyl]naphthalene-2-carboxylate (CID 172960321) is [3-[(E)-[(E)-1-(1-benzothiophen-2-yl)ethylidenehydrazinylidene]methyl]-4-(2-fluoro-4-methylphenyl)phenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-difluorobenzoate;(2,4-dimethylphenyl) 3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxybenzoate;(2,4-dimethylphenyl) 6-[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalene-2-carboxylate;(2,4-dimethylphenyl) 6-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-(quinolin-2-ylhydrazinylidene)methyl]naphthalene-2-carboxylate.

What is the SMILES notation for [3-[(E)-[(E)-1-(1-benzothiophen-2-yl)ethylidenehydrazinylidene]methyl]-4-(2-fluoro-4-methylphenyl)phenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-difluorobenzoate;(2,4-dimethylphenyl) 3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxybenzoate;(2,4-dimethylphenyl) 6-[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalene-2-carboxylate;(2,4-dimethylphenyl) 6-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-(quinolin-2-ylhydrazinylidene)methyl]naphthalene-2-carboxylate?

The canonical SMILES for [3-[(E)-[(E)-1-(1-benzothiophen-2-yl)ethylidenehydrazinylidene]methyl]-4-(2-fluoro-4-methylphenyl)phenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-difluorobenzoate;(2,4-dimethylphenyl) 3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxybenzoate;(2,4-dimethylphenyl) 6-[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalene-2-carboxylate;(2,4-dimethylphenyl) 6-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-(quinolin-2-ylhydrazinylidene)methyl]naphthalene-2-carboxylate is C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc3cc(C(=O)Oc4ccc(C)cc4C)ccc3c2/C=N/Nc2ccc3ccccc3n2)cc1.C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3C)cc2/C=N/N(CCCC)c2nc3ccccc3s2)cc1.C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc3cc(C(=O)Oc4ccc(C)cc4C)ccc3c2)cc1/C=N/N(C)c1nc2ccccc2s1.CCC1(COCCCCCCOc2c(F)cc(C(=O)Oc3ccc(-c4ccc(C)cc4F)c(/C=N/N=C(\C)c4cc5ccccc5s4)c3)cc2F)COC1.

What is the InChIKey of [3-[(E)-[(E)-1-(1-benzothiophen-2-yl)ethylidenehydrazinylidene]methyl]-4-(2-fluoro-4-methylphenyl)phenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-difluorobenzoate;(2,4-dimethylphenyl) 3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxybenzoate;(2,4-dimethylphenyl) 6-[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalene-2-carboxylate;(2,4-dimethylphenyl) 6-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-(quinolin-2-ylhydrazinylidene)methyl]naphthalene-2-carboxylate?

The InChIKey is FHZSVFJWVXPUAM-KXMDQFNASA-N. The full InChI is InChI=1S/C45H41N3O7.C43H43F3N2O5S.C41H35N3O7S.C40H39N3O7S/c1-4-43(49)53-26-10-6-5-9-25-52-36-19-14-33(15-20-36)44(50)55-41-23-17-34-28-35(45(51)54-40-22-13-30(2)27-31(40)3)16-21-37(34)38(41)29-46-48-42-24-18-32-11-7-8-12-39(32)47-42;1-4-43(26-51-27-43)25-50-17-9-5-6-10-18-52-41-37(45)21-31(22-38(41)46)42(49)53-33-14-16-34(35-15-13-28(2)19-36(35)44)32(20-33)24-47-48-29(3)40-23-30-11-7-8-12-39(30)54-40;1-5-38(45)49-20-8-19-48-36-18-15-31(23-32(36)25-42-44(4)41-43-34-9-6-7-10-37(34)52-41)39(46)50-33-16-14-28-22-30(13-12-29(28)24-33)40(47)51-35-17-11-26(2)21-27(35)3;1-5-7-21-43(40-42-33-11-8-9-12-36(33)51-40)41-26-31-25-30(39(46)49-34-19-13-27(3)24-28(34)4)16-20-35(31)50-38(45)29-14-17-32(18-15-29)47-22-10-23-48-37(44)6-2/h4,7-8,11-24,27-29H,1,5-6,9-10,25-26H2,2-3H3,(H,47,48);7-8,11-16,19-24H,4-6,9-10,17-18,25-27H2,1-3H3;5-7,9-18,21-25H,1,8,19-20H2,2-4H3;6,8-9,11-20,24-26H,2,5,7,10,21-23H2,1,3-4H3/b46-29+;47-24+,48-29+;42-25+;41-26+.

What are the key properties of [3-[(E)-[(E)-1-(1-benzothiophen-2-yl)ethylidenehydrazinylidene]methyl]-4-(2-fluoro-4-methylphenyl)phenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-difluorobenzoate;(2,4-dimethylphenyl) 3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxybenzoate;(2,4-dimethylphenyl) 6-[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalene-2-carboxylate;(2,4-dimethylphenyl) 6-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-(quinolin-2-ylhydrazinylidene)methyl]naphthalene-2-carboxylate?

[3-[(E)-[(E)-1-(1-benzothiophen-2-yl)ethylidenehydrazinylidene]methyl]-4-(2-fluoro-4-methylphenyl)phenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-difluorobenzoate;(2,4-dimethylphenyl) 3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxybenzoate;(2,4-dimethylphenyl) 6-[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalene-2-carboxylate;(2,4-dimethylphenyl) 6-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-(quinolin-2-ylhydrazinylidene)methyl]naphthalene-2-carboxylate has a molecular weight of 2912.37 g/mol, XLogP of 37.26, 62 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(E)-[(E)-1-(1-benzothiophen-2-yl)ethylidenehydrazinylidene]methyl]-4-(2-fluoro-4-methylphenyl)phenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3,5-difluorobenzoate;(2,4-dimethylphenyl) 3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxybenzoate;(2,4-dimethylphenyl) 6-[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalene-2-carboxylate;(2,4-dimethylphenyl) 6-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-(quinolin-2-ylhydrazinylidene)methyl]naphthalene-2-carboxylate is sourced from PubChem (CID 172960321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).