[3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate

C174H180N6O34S — CID 172983411

IUPAC[3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
SMILESC=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(/C=C/C=N/Nc3nc4ccccc4s3)c2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C#C/C=C/c3ccc4c(c3)c3ccccc3n4CC)c2)cc1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5)CC4)c(/C=N/N=C/c4ccc(C#Cc5ccc(C)cc5C)cc4)c3)CC2)cc1
InChIInChI=1S/C70H76N2O14.C56H55NO10.C48H49N3O10S/c1-5-65(73)81-43-13-9-7-11-41-79-59-31-35-61(36-32-59)83-67(75)54-23-25-56(26-24-54)69(77)85-63-39-40-64(58(46-63)48-72-71-47-52-18-16-51(17-19-52)20-22-53-21-15-49(3)45-50(53)4)86-70(78)57-29-27-55(28-30-57)68(76)84-62-37-33-60(34-38-62)80-42-12-8-10-14-44-82-66(74)6-2;1-4-53(58)64-37-17-9-7-15-35-62-45-28-24-42(25-29-45)55(60)66-47-32-34-52(67-56(61)43-26-30-46(31-27-43)63-36-16-8-10-18-38-65-54(59)5-2)44(40-47)20-12-11-19-41-23-33-51-49(39-41)48-21-13-14-22-50(48)57(51)6-3;1-3-44(52)58-32-13-7-5-11-30-56-38-23-19-35(20-24-38)46(54)60-40-27-28-42(37(34-40)16-15-29-49-51-48-50-41-17-9-10-18-43(41)62-48)61-47(55)36-21-25-39(26-22-36)57-31-12-6-8-14-33-59-45(53)4-2/h5-6,15-19,21,31-40,45-48,54-57H,1-2,7-14,23-30,41-44H2,3-4H3;4-5,11,13-14,19,21-34,39-40H,1-2,6-10,15-18,35-38H2,3H3;3-4,9-10,15-29,34H,1-2,5-8,11-14,30-33H2,(H,50,51)/b71-47+,72-48+;19-11+;16-15+,49-29+
InChIKeyVITDJZBFLDLBCY-ASRIFZJRSA-N
MW2931.43 g/mol
LogP34.96
Rot. Bonds79

About [3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate

[3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate (PubChem CID 172983411) has the molecular formula C174H180N6O34S and a molecular weight of 2931.43 g/mol. Its IUPAC name is [3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate.

Molecular Properties

Compound Name[3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
PubChem CID172983411
Molecular FormulaC174H180N6O34S
Molecular Weight2931.43 g/mol
Exact Mass2929.23
IUPAC Name[3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
SMILESC=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(/C=C/C=N/Nc3nc4ccccc4s3)c2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C#C/C=C/c3ccc4c(c3)c3ccccc3n4CC)c2)cc1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5)CC4)c(/C=N/N=C/c4ccc(C#Cc5ccc(C)cc5C)cc4)c3)CC2)cc1
InChIInChI=1S/C70H76N2O14.C56H55NO10.C48H49N3O10S/c1-5-65(73)81-43-13-9-7-11-41-79-59-31-35-61(36-32-59)83-67(75)54-23-25-56(26-24-54)69(77)85-63-39-40-64(58(46-63)48-72-71-47-52-18-16-51(17-19-52)20-22-53-21-15-49(3)45-50(53)4)86-70(78)57-29-27-55(28-30-57)68(76)84-62-37-33-60(34-38-62)80-42-12-8-10-14-44-82-66(74)6-2;1-4-53(58)64-37-17-9-7-15-35-62-45-28-24-42(25-29-45)55(60)66-47-32-34-52(67-56(61)43-26-30-46(31-27-43)63-36-16-8-10-18-38-65-54(59)5-2)44(40-47)20-12-11-19-41-23-33-51-49(39-41)48-21-13-14-22-50(48)57(51)6-3;1-3-44(52)58-32-13-7-5-11-30-56-38-23-19-35(20-24-38)46(54)60-40-27-28-42(37(34-40)16-15-29-49-51-48-50-41-17-9-10-18-43(41)62-48)61-47(55)36-21-25-39(26-22-36)57-31-12-6-8-14-33-59-45(53)4-2/h5-6,15-19,21,31-40,45-48,54-57H,1-2,7-14,23-30,41-44H2,3-4H3;4-5,11,13-14,19,21-34,39-40H,1-2,6-10,15-18,35-38H2,3H3;3-4,9-10,15-29,34H,1-2,5-8,11-14,30-33H2,(H,50,51)/b71-47+,72-48+;19-11+;16-15+,49-29+
InChIKeyVITDJZBFLDLBCY-ASRIFZJRSA-N
XLogP34.96
TPSA490.51 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds79
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002931.43
LogP ≤ 534.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

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'}

Analyze [3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 139459355
[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoate;1-O-[2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[(E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoate
CID 172953220
[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-butoxycyclohexa-1,3-diene-1-carbonyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 140915674
4-O-[3-[(E)-[1,3-benzothiazol-2-yl(2-prop-2-enoyloxyethyl)hydrazinylidene]methyl]-4-[4-(4-methylphenoxy)carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;6-methoxyhexyl prop-2-enoate
CID 172945894
4-O-[3-[[1,3-benzothiazol-2-yl(2-phenoxyethyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 123723722
[2-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 165160122
4-O-[2-[(E)-[1,3-benzothiazol-2-yl(hexan-2-yl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate;6-(4-methylphenoxy)hexyl prop-2-enoate
CID 172921693
4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(2-oxobut-3-enyl)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-(4-prop-2-enoyloxyphenyl) cyclohexane-1,4-dicarboxylate
CID 129265980
4-O-[4-(4-acetylcyclohexanecarbonyl)oxy-3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 118187862
[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[3,4-bis(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 3,4-bis(3-prop-2-enoyloxypropoxy)benzoate
CID 134312788
4-O-[2-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl] 1-O-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 172938730
4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[1-(ethenylideneamino)ethyl]hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 118187904

Frequently Asked Questions

What is the IUPAC name of [3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate?
The IUPAC name of [3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate (CID 172983411) is [3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate.
What is the SMILES notation for [3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate?
The canonical SMILES for [3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate is C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(/C=C/C=N/Nc3nc4ccccc4s3)c2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C#C/C=C/c3ccc4c(c3)c3ccccc3n4CC)c2)cc1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5)CC4)c(/C=N/N=C/c4ccc(C#Cc5ccc(C)cc5C)cc4)c3)CC2)cc1.
What is the InChIKey of [3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate?
The InChIKey is VITDJZBFLDLBCY-ASRIFZJRSA-N. The full InChI is InChI=1S/C70H76N2O14.C56H55NO10.C48H49N3O10S/c1-5-65(73)81-43-13-9-7-11-41-79-59-31-35-61(36-32-59)83-67(75)54-23-25-56(26-24-54)69(77)85-63-39-40-64(58(46-63)48-72-71-47-52-18-16-51(17-19-52)20-22-53-21-15-49(3)45-50(53)4)86-70(78)57-29-27-55(28-30-57)68(76)84-62-37-33-60(34-38-62)80-42-12-8-10-14-44-82-66(74)6-2;1-4-53(58)64-37-17-9-7-15-35-62-45-28-24-42(25-29-45)55(60)66-47-32-34-52(67-56(61)43-26-30-46(31-27-43)63-36-16-8-10-18-38-65-54(59)5-2)44(40-47)20-12-11-19-41-23-33-51-49(39-41)48-21-13-14-22-50(48)57(51)6-3;1-3-44(52)58-32-13-7-5-11-30-56-38-23-19-35(20-24-38)46(54)60-40-27-28-42(37(34-40)16-15-29-49-51-48-50-41-17-9-10-18-43(41)62-48)61-47(55)36-21-25-39(26-22-36)57-31-12-6-8-14-33-59-45(53)4-2/h5-6,15-19,21,31-40,45-48,54-57H,1-2,7-14,23-30,41-44H2,3-4H3;4-5,11,13-14,19,21-34,39-40H,1-2,6-10,15-18,35-38H2,3H3;3-4,9-10,15-29,34H,1-2,5-8,11-14,30-33H2,(H,50,51)/b71-47+,72-48+;19-11+;16-15+,49-29+.
What are the key properties of [3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate?
[3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate has a molecular weight of 2931.43 g/mol, XLogP of 34.96, 79 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E,3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)prop-1-enyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;4-O-[3-[(E)-[(E)-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]methylidenehydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-4-(9-ethylcarbazol-3-yl)but-3-en-1-ynyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate is sourced from PubChem (CID 172983411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).