[3-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate

C191H214N6O46 — CID 172921922

IUPAC[3-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
SMILESC=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2cc(/C=N/Nc3ccc4cc(OC(=O)C(=C)C)ccc4c3)c(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(OC(=O)C(=C)C)c2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2cc(/C=N/Nc3ccc4cc(OCCCCCCOC(=O)C=C)ccc4c3)c(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(OCCCCCCOC(=O)C=C)c2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(OCCCCCCOC(=O)C=C)c2/C=N/Nc2ccc3cc(OCCCCCCOC(=O)C=C)ccc3c2)cc1
InChIInChI=1S/2C67H78N2O16.C57H58N2O14/c1-5-61(70)80-41-21-13-9-17-37-76-56-32-26-50(27-33-56)66(74)84-59-47-54(49-68-69-55-31-25-53-46-58(36-30-52(53)45-55)78-39-19-11-15-23-43-82-63(72)7-3)65(60(48-59)79-40-20-12-16-24-44-83-64(73)8-4)85-67(75)51-28-34-57(35-29-51)77-38-18-10-14-22-42-81-62(71)6-2;1-5-61(70)79-42-20-12-9-17-39-76-55-32-26-50(27-33-55)66(74)84-59-37-38-60(85-67(75)51-28-34-56(35-29-51)77-40-18-10-13-21-43-80-62(71)6-2)65(83-46-24-16-15-23-45-82-64(73)8-4)58(59)49-68-69-54-31-25-53-48-57(36-30-52(53)47-54)78-41-19-11-14-22-44-81-63(72)7-3;1-7-51(60)68-31-15-11-9-13-29-66-46-24-18-40(19-25-46)56(64)71-49-35-44(37-58-59-45-23-17-43-34-48(28-22-42(43)33-45)70-54(62)38(3)4)53(50(36-49)72-55(63)39(5)6)73-57(65)41-20-26-47(27-21-41)67-30-14-10-12-16-32-69-52(61)8-2/h5-8,25-36,45-49,69H,1-4,9-24,37-44H2;5-8,25-38,47-49,69H,1-4,9-24,39-46H2;7-8,17-28,33-37,59H,1-3,5,9-16,29-32H2,4,6H3/b2*68-49+;58-37+
InChIKeyQACAERQEITZPHO-NQHQYDPRSA-N
MW3329.81 g/mol
LogP37.82
Rot. Bonds115

About [3-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate

[3-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate (PubChem CID 172921922) has the molecular formula C191H214N6O46 and a molecular weight of 3329.81 g/mol. Its IUPAC name is [3-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate.

Molecular Properties

Compound Name[3-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
PubChem CID172921922
Molecular FormulaC191H214N6O46
Molecular Weight3329.81 g/mol
Exact Mass3327.46
IUPAC Name[3-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
SMILESC=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2cc(/C=N/Nc3ccc4cc(OC(=O)C(=C)C)ccc4c3)c(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(OC(=O)C(=C)C)c2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2cc(/C=N/Nc3ccc4cc(OCCCCCCOC(=O)C=C)ccc4c3)c(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(OCCCCCCOC(=O)C=C)c2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(OCCCCCCOC(=O)C=C)c2/C=N/Nc2ccc3cc(OCCCCCCOC(=O)C=C)ccc3c2)cc1
InChIInChI=1S/2C67H78N2O16.C57H58N2O14/c1-5-61(70)80-41-21-13-9-17-37-76-56-32-26-50(27-33-56)66(74)84-59-47-54(49-68-69-55-31-25-53-46-58(36-30-52(53)45-55)78-39-19-11-15-23-43-82-63(72)7-3)65(60(48-59)79-40-20-12-16-24-44-83-64(73)8-4)85-67(75)51-28-34-57(35-29-51)77-38-18-10-14-22-42-81-62(71)6-2;1-5-61(70)79-42-20-12-9-17-39-76-55-32-26-50(27-33-55)66(74)84-59-37-38-60(85-67(75)51-28-34-56(35-29-51)77-40-18-10-13-21-43-80-62(71)6-2)65(83-46-24-16-15-23-45-82-64(73)8-4)58(59)49-68-69-54-31-25-53-48-57(36-30-52(53)47-54)78-41-19-11-14-22-44-81-63(72)7-3;1-7-51(60)68-31-15-11-9-13-29-66-46-24-18-40(19-25-46)56(64)71-49-35-44(37-58-59-45-23-17-43-34-48(28-22-42(43)33-45)70-54(62)38(3)4)53(50(36-49)72-55(63)39(5)6)73-57(65)41-20-26-47(27-21-41)67-30-14-10-12-16-32-69-52(61)8-2/h5-8,25-36,45-49,69H,1-4,9-24,37-44H2;5-8,25-38,47-49,69H,1-4,9-24,39-46H2;7-8,17-28,33-37,59H,1-3,5,9-16,29-32H2,4,6H3/b2*68-49+;58-37+
InChIKeyQACAERQEITZPHO-NQHQYDPRSA-N
XLogP37.82
TPSA638.87 Ų
H-Bond Donors3
H-Bond Acceptors52
Rotatable Bonds115
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003329.81
LogP ≤ 537.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1052

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-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate with MolForge

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Related Compounds

[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-7-(2-methylprop-2-enoyloxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-3-(2-methylprop-2-enoyloxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-7-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 172981526
[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-propylphenyl] 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate
CID 59629928
[3-formyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 134352407
[3,4-bis[[4-(10-prop-2-enoyloxydecoxy)benzoyl]oxy]phenyl] 4-(10-prop-2-enoyloxydecoxy)benzoate
CID 23355747
[3-hydroxy-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carbonyl]oxyphenyl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate
CID 89003490
[3-fluoro-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate
CID 161330088
[4-[6-[3,4-bis[3-(2-methylprop-2-enoyloxy)propoxy]benzoyl]oxynaphthalene-2-carbonyl]oxy-3-(2-oxopropyl)phenyl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate
CID 58141873
[3-[(anthracen-9-ylmethylidenehydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 123309807
methyl 5-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoate
CID 21353450
4-[6-[3-ethyl-4-(6-prop-2-enoyloxynaphthalene-2-carbonyl)oxyphenoxy]carbonylnaphthalen-2-yl]oxybutyl 6-(8-prop-2-enoyloxyoctoxy)naphthalene-2-carboxylate
CID 59181147
[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 154601614
[7-methyl-6-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalen-2-yl] 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 122665042

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate?
The IUPAC name of [3-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate (CID 172921922) is [3-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate.
What is the SMILES notation for [3-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate?
The canonical SMILES for [3-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate is C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2cc(/C=N/Nc3ccc4cc(OC(=O)C(=C)C)ccc4c3)c(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(OC(=O)C(=C)C)c2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2cc(/C=N/Nc3ccc4cc(OCCCCCCOC(=O)C=C)ccc4c3)c(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(OCCCCCCOC(=O)C=C)c2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(OCCCCCCOC(=O)C=C)c2/C=N/Nc2ccc3cc(OCCCCCCOC(=O)C=C)ccc3c2)cc1.
What is the InChIKey of [3-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate?
The InChIKey is QACAERQEITZPHO-NQHQYDPRSA-N. The full InChI is InChI=1S/2C67H78N2O16.C57H58N2O14/c1-5-61(70)80-41-21-13-9-17-37-76-56-32-26-50(27-33-56)66(74)84-59-47-54(49-68-69-55-31-25-53-46-58(36-30-52(53)45-55)78-39-19-11-15-23-43-82-63(72)7-3)65(60(48-59)79-40-20-12-16-24-44-83-64(73)8-4)85-67(75)51-28-34-57(35-29-51)77-38-18-10-14-22-42-81-62(71)6-2;1-5-61(70)79-42-20-12-9-17-39-76-55-32-26-50(27-33-55)66(74)84-59-37-38-60(85-67(75)51-28-34-56(35-29-51)77-40-18-10-13-21-43-80-62(71)6-2)65(83-46-24-16-15-23-45-82-64(73)8-4)58(59)49-68-69-54-31-25-53-48-57(36-30-52(53)47-54)78-41-19-11-14-22-44-81-63(72)7-3;1-7-51(60)68-31-15-11-9-13-29-66-46-24-18-40(19-25-46)56(64)71-49-35-44(37-58-59-45-23-17-43-34-48(28-22-42(43)33-45)70-54(62)38(3)4)53(50(36-49)72-55(63)39(5)6)73-57(65)41-20-26-47(27-21-41)67-30-14-10-12-16-32-69-52(61)8-2/h5-8,25-36,45-49,69H,1-4,9-24,37-44H2;5-8,25-38,47-49,69H,1-4,9-24,39-46H2;7-8,17-28,33-37,59H,1-3,5,9-16,29-32H2,4,6H3/b2*68-49+;58-37+.
What are the key properties of [3-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate?
[3-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate has a molecular weight of 3329.81 g/mol, XLogP of 37.82, 115 rotatable bonds, 3 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylprop-2-enoyloxy)-5-[(E)-[[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-(6-prop-2-enoyloxyhexoxy)-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-5-[(E)-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]hydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate is sourced from PubChem (CID 172921922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).