(2,4-dimethylphenyl) 7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;2-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-ethylbenzoate;(4-methoxy-2-methylphenyl) 3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-[2-(2-oxobut-3-enoxy)acetyl]oxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate

C147H140N8O35S2 — CID 172927800

About (2,4-dimethylphenyl) 7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;2-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-ethylbenzoate;(4-methoxy-2-methylphenyl) 3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-[2-(2-oxobut-3-enoxy)acetyl]oxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate

(2,4-dimethylphenyl) 7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;2-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-ethylbenzoate;(4-methoxy-2-methylphenyl) 3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-[2-(2-oxobut-3-enoxy)acetyl]oxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate (PubChem CID 172927800) has the molecular formula C147H140N8O35S2 and a molecular weight of 2642.89 g/mol. Its IUPAC name is (2,4-dimethylphenyl) 7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;2-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-ethylbenzoate;(4-methoxy-2-methylphenyl) 3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-[2-(2-oxobut-3-enoxy)acetyl]oxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate.

Molecular Properties

• Compound Name: (2,4-dimethylphenyl) 7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;2-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-ethylbenzoate;(4-methoxy-2-methylphenyl) 3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-[2-(2-oxobut-3-enoxy)acetyl]oxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate
• PubChem CID: 172927800
• Molecular Formula: C147H140N8O35S2
• Molecular Weight: 2642.89 g/mol
• Exact Mass: 2640.89
• IUPAC Name: (2,4-dimethylphenyl) 7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;2-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-ethylbenzoate;(4-methoxy-2-methylphenyl) 3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-[2-(2-oxobut-3-enoxy)acetyl]oxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate
• SMILES: C=CC(=O)COCC(=O)OC(COCCCCOC(=O)C=C)COc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC)cc3C)cc2/C=N/Nc2nc3ccccc3s2)cc1.C=CC(=O)OCCCCOCC(COc1ccc(C(=O)Oc2cc3ccc(C(=O)Oc4ccc(C)cc4C)cc3cc2/C=N/Nc2nc3ccccc3s2)cc1)OC(=O)CCOC(=O)C=C.C=CC(=O)OCCCCOCC(COc1ccc(C(=O)Oc2ccc(CCOC(=O)c3ccc(CC)cc3)cc2/C=N/N=C2c3ccccc3-c3ccccc32)cc1)OC(=O)C=C
• InChI: InChI=1S/C51H48N2O10.C50H47N3O12S.C46H45N3O13S/c1-4-35-17-20-37(21-18-35)50(56)60-30-27-36-19-26-46(39(31-36)32-52-53-49-44-15-9-7-13-42(44)43-14-8-10-16-45(43)49)63-51(57)38-22-24-40(25-23-38)61-34-41(62-48(55)6-3)33-58-28-11-12-29-59-47(54)5-2;1-5-45(54)60-23-10-9-22-59-30-40(63-47(56)21-24-61-46(55)6-2)31-62-39-18-16-34(17-19-39)48(57)65-43-28-35-14-15-36(49(58)64-42-20-13-32(3)25-33(42)4)26-37(35)27-38(43)29-51-53-50-52-41-11-7-8-12-44(41)66-50;1-5-34(50)26-57-29-43(52)60-37(27-56-21-9-10-22-58-42(51)6-2)28-59-35-16-13-31(14-17-35)44(53)62-40-19-15-32(45(54)61-39-20-18-36(55-4)23-30(39)3)24-33(40)25-47-49-46-48-38-11-7-8-12-41(38)63-46/h5-10,13-26,31-32,41H,2-4,11-12,27-30,33-34H2,1H3;5-8,11-20,25-29,40H,1-2,9-10,21-24,30-31H2,3-4H3,(H,52,53);5-8,11-20,23-25,37H,1-2,9-10,21-22,26-29H2,3-4H3,(H,48,49)/b52-32+;51-29+;47-25+
• InChIKey: GZZTVBGJUXLWKV-UQYYVYFASA-N
• XLogP: 24.69
• TPSA: 532.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 45
• Rotatable Bonds: 70
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2642.89
LogP ≤ 5	24.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	45

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 (2,4-dimethylphenyl) 7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;2-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-ethylbenzoate;(4-methoxy-2-methylphenyl) 3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-[2-(2-oxobut-3-enoxy)acetyl]oxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate?

The IUPAC name of (2,4-dimethylphenyl) 7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;2-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-ethylbenzoate;(4-methoxy-2-methylphenyl) 3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-[2-(2-oxobut-3-enoxy)acetyl]oxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate (CID 172927800) is (2,4-dimethylphenyl) 7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;2-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-ethylbenzoate;(4-methoxy-2-methylphenyl) 3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-[2-(2-oxobut-3-enoxy)acetyl]oxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate.

What is the SMILES notation for (2,4-dimethylphenyl) 7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;2-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-ethylbenzoate;(4-methoxy-2-methylphenyl) 3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-[2-(2-oxobut-3-enoxy)acetyl]oxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate?

The canonical SMILES for (2,4-dimethylphenyl) 7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;2-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-ethylbenzoate;(4-methoxy-2-methylphenyl) 3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-[2-(2-oxobut-3-enoxy)acetyl]oxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate is C=CC(=O)COCC(=O)OC(COCCCCOC(=O)C=C)COc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC)cc3C)cc2/C=N/Nc2nc3ccccc3s2)cc1.C=CC(=O)OCCCCOCC(COc1ccc(C(=O)Oc2cc3ccc(C(=O)Oc4ccc(C)cc4C)cc3cc2/C=N/Nc2nc3ccccc3s2)cc1)OC(=O)CCOC(=O)C=C.C=CC(=O)OCCCCOCC(COc1ccc(C(=O)Oc2ccc(CCOC(=O)c3ccc(CC)cc3)cc2/C=N/N=C2c3ccccc3-c3ccccc32)cc1)OC(=O)C=C.

What is the InChIKey of (2,4-dimethylphenyl) 7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;2-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-ethylbenzoate;(4-methoxy-2-methylphenyl) 3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-[2-(2-oxobut-3-enoxy)acetyl]oxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate?

The InChIKey is GZZTVBGJUXLWKV-UQYYVYFASA-N. The full InChI is InChI=1S/C51H48N2O10.C50H47N3O12S.C46H45N3O13S/c1-4-35-17-20-37(21-18-35)50(56)60-30-27-36-19-26-46(39(31-36)32-52-53-49-44-15-9-7-13-42(44)43-14-8-10-16-45(43)49)63-51(57)38-22-24-40(25-23-38)61-34-41(62-48(55)6-3)33-58-28-11-12-29-59-47(54)5-2;1-5-45(54)60-23-10-9-22-59-30-40(63-47(56)21-24-61-46(55)6-2)31-62-39-18-16-34(17-19-39)48(57)65-43-28-35-14-15-36(49(58)64-42-20-13-32(3)25-33(42)4)26-37(35)27-38(43)29-51-53-50-52-41-11-7-8-12-44(41)66-50;1-5-34(50)26-57-29-43(52)60-37(27-56-21-9-10-22-58-42(51)6-2)28-59-35-16-13-31(14-17-35)44(53)62-40-19-15-32(45(54)61-39-20-18-36(55-4)23-30(39)3)24-33(40)25-47-49-46-48-38-11-7-8-12-41(38)63-46/h5-10,13-26,31-32,41H,2-4,11-12,27-30,33-34H2,1H3;5-8,11-20,25-29,40H,1-2,9-10,21-24,30-31H2,3-4H3,(H,52,53);5-8,11-20,23-25,37H,1-2,9-10,21-22,26-29H2,3-4H3,(H,48,49)/b52-32+;51-29+;47-25+.

What are the key properties of (2,4-dimethylphenyl) 7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;2-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-ethylbenzoate;(4-methoxy-2-methylphenyl) 3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-[2-(2-oxobut-3-enoxy)acetyl]oxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate?

(2,4-dimethylphenyl) 7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;2-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-ethylbenzoate;(4-methoxy-2-methylphenyl) 3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-[2-(2-oxobut-3-enoxy)acetyl]oxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate has a molecular weight of 2642.89 g/mol, XLogP of 24.69, 70 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (2,4-dimethylphenyl) 7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;2-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-ethylbenzoate;(4-methoxy-2-methylphenyl) 3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-[2-(2-oxobut-3-enoxy)acetyl]oxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate is sourced from PubChem (CID 172927800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).