4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen

C270H300N12O56S4 — CID 172962781

IUPAC4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen
SMILESC#CC#CC#CC#CN(/N=C/c1cc2cc(OC(=O)C3CCC(C(=O)Oc4ccc(OCCCCCCOC(=O)C=C)cc4)CC3)ccc2cc1OC(=O)C1CCC(C(=O)Oc2ccc(OCCCCCCOC(=O)C=C)cc2)CC1)c1nc2ccccc2s1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3cc(/C=N/N(CCCCCC)c4nc5ccccc5s4)c(OC(=O)C4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5)CC4)c4ccccc34)CC2)cc1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3cc(/C=N/Nc4nc5ccccc5s4)c(OC(=O)C4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5)CC4)c4ccccc34)CC2)cc1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc4cc(OC(=O)C5CCC(C(=O)Oc6ccc(OCCCCCCOC(=O)C=C)cc6)CC5)c(/C=N/Nc5nc6ccccc6s5)cc4c3)CC2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C72H69N3O14S.C70H81N3O14S.2C64H69N3O14S.6H2/c1-4-7-8-9-10-17-42-75(72-74-63-22-15-16-23-65(63)90-72)73-50-57-47-56-48-62(88-70(80)53-26-24-51(25-27-53)68(78)86-60-38-34-58(35-39-60)82-43-18-11-13-20-45-84-66(76)5-2)33-32-55(56)49-64(57)89-71(81)54-30-28-52(29-31-54)69(79)87-61-40-36-59(37-41-61)83-44-19-12-14-21-46-85-67(77)6-3;1-4-7-8-17-42-73(70-72-60-24-15-16-25-62(60)88-70)71-48-53-47-61(86-68(78)51-30-26-49(27-31-51)66(76)84-56-38-34-54(35-39-56)80-43-18-9-11-20-45-82-63(74)5-2)58-22-13-14-23-59(58)65(53)87-69(79)52-32-28-50(29-33-52)67(77)85-57-40-36-55(37-41-57)81-44-19-10-12-21-46-83-64(75)6-3;1-3-57(68)76-39-15-7-5-13-37-74-48-29-33-50(34-30-48)78-60(70)43-21-25-45(26-22-43)62(72)80-55-41-47(42-65-67-64-66-54-19-11-12-20-56(54)82-64)59(53-18-10-9-17-52(53)55)81-63(73)46-27-23-44(24-28-46)61(71)79-51-35-31-49(32-36-51)75-38-14-6-8-16-40-77-58(69)4-2;1-3-58(68)76-37-13-7-5-11-35-74-50-27-31-52(32-28-50)78-60(70)43-17-19-45(20-18-43)62(72)80-54-26-25-47-41-56(49(39-48(47)40-54)42-65-67-64-66-55-15-9-10-16-57(55)82-64)81-63(73)46-23-21-44(22-24-46)61(71)79-53-33-29-51(30-34-53)75-36-12-6-8-14-38-77-59(69)4-2;;;;;;/h1,5-6,15-16,22-23,32-41,47-54H,2-3,11-14,18-21,24-31,43-46H2;5-6,13-16,22-25,34-41,47-52H,2-4,7-12,17-21,26-33,42-46H2,1H3;3-4,9-12,17-20,29-36,41-46H,1-2,5-8,13-16,21-28,37-40H2,(H,66,67);3-4,9-10,15-16,25-34,39-46H,1-2,5-8,11-14,17-24,35-38H2,(H,66,67);6*1H/b73-50+;71-48+;2*65-42+;;;;;;
InChIKeyCWGDFNIMPQVDAR-KIWLBFOMSA-N
MW4737.67 g/mol
LogP54.91
Rot. Bonds121

About 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen

4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen (PubChem CID 172962781) has the molecular formula C270H300N12O56S4 and a molecular weight of 4737.67 g/mol. Its IUPAC name is 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen.

Molecular Properties

Compound Name4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen
PubChem CID172962781
Molecular FormulaC270H300N12O56S4
Molecular Weight4737.67 g/mol
Exact Mass4733.99
IUPAC Name4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen
SMILESC#CC#CC#CC#CN(/N=C/c1cc2cc(OC(=O)C3CCC(C(=O)Oc4ccc(OCCCCCCOC(=O)C=C)cc4)CC3)ccc2cc1OC(=O)C1CCC(C(=O)Oc2ccc(OCCCCCCOC(=O)C=C)cc2)CC1)c1nc2ccccc2s1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3cc(/C=N/N(CCCCCC)c4nc5ccccc5s4)c(OC(=O)C4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5)CC4)c4ccccc34)CC2)cc1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3cc(/C=N/Nc4nc5ccccc5s4)c(OC(=O)C4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5)CC4)c4ccccc34)CC2)cc1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc4cc(OC(=O)C5CCC(C(=O)Oc6ccc(OCCCCCCOC(=O)C=C)cc6)CC5)c(/C=N/Nc5nc6ccccc6s5)cc4c3)CC2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C72H69N3O14S.C70H81N3O14S.2C64H69N3O14S.6H2/c1-4-7-8-9-10-17-42-75(72-74-63-22-15-16-23-65(63)90-72)73-50-57-47-56-48-62(88-70(80)53-26-24-51(25-27-53)68(78)86-60-38-34-58(35-39-60)82-43-18-11-13-20-45-84-66(76)5-2)33-32-55(56)49-64(57)89-71(81)54-30-28-52(29-31-54)69(79)87-61-40-36-59(37-41-61)83-44-19-12-14-21-46-85-67(77)6-3;1-4-7-8-17-42-73(70-72-60-24-15-16-25-62(60)88-70)71-48-53-47-61(86-68(78)51-30-26-49(27-31-51)66(76)84-56-38-34-54(35-39-56)80-43-18-9-11-20-45-82-63(74)5-2)58-22-13-14-23-59(58)65(53)87-69(79)52-32-28-50(29-33-52)67(77)85-57-40-36-55(37-41-57)81-44-19-10-12-21-46-83-64(75)6-3;1-3-57(68)76-39-15-7-5-13-37-74-48-29-33-50(34-30-48)78-60(70)43-21-25-45(26-22-43)62(72)80-55-41-47(42-65-67-64-66-54-19-11-12-20-56(54)82-64)59(53-18-10-9-17-52(53)55)81-63(73)46-27-23-44(24-28-46)61(71)79-51-35-31-49(32-36-51)75-38-14-6-8-16-40-77-58(69)4-2;1-3-58(68)76-37-13-7-5-11-35-74-50-27-31-52(32-28-50)78-60(70)43-17-19-45(20-18-43)62(72)80-54-26-25-47-41-56(49(39-48(47)40-54)42-65-67-64-66-55-15-9-10-16-57(55)82-64)81-63(73)46-23-21-44(22-24-46)61(71)79-53-33-29-51(30-34-53)75-36-12-6-8-14-38-77-59(69)4-2;;;;;;/h1,5-6,15-16,22-23,32-41,47-54H,2-3,11-14,18-21,24-31,43-46H2;5-6,13-16,22-25,34-41,47-52H,2-4,7-12,17-21,26-33,42-46H2,1H3;3-4,9-12,17-20,29-36,41-46H,1-2,5-8,13-16,21-28,37-40H2,(H,66,67);3-4,9-10,15-16,25-34,39-46H,1-2,5-8,11-14,17-24,35-38H2,(H,66,67);6*1H/b73-50+;71-48+;2*65-42+;;;;;;
InChIKeyCWGDFNIMPQVDAR-KIWLBFOMSA-N
XLogP54.91
TPSA836.58 Ų
H-Bond Donors2
H-Bond Acceptors72
Rotatable Bonds121
Heavy Atoms342
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004737.67
LogP ≤ 554.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1072

Analyze 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen with MolForge

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Related Compounds

4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 135225719
4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]naphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 168734528
4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(12-prop-2-enoyloxydodecoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(12-prop-2-enoyloxydodecoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 118187889
[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-[(E)-[1,3-benzothiazol-2-yl(methyl)hydrazinylidene]methyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxynaphthalen-1-yl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-3-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 172924055
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
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(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate
CID 130417180
[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-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 139459355
4-O-[3-[(E)-[1,3-benzothiazol-2-yl(butyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(pentyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane
CID 172949627
4-O-[2-[(E)-[1,3-benzothiazol-2-yl(3-prop-2-enoyloxypropyl)hydrazinylidene]methyl]-4-(4-pentylcyclohexyl)phenyl] 1-O-[4-(3-prop-2-enoyloxypropoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 140936769
4-O-[3-[(E)-[hexyl([1,3]thiazolo[5,4-b]pyridin-2-yl)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 118187858

Frequently Asked Questions

What is the IUPAC name of 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen?
The IUPAC name of 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen (CID 172962781) is 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen.
What is the SMILES notation for 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen?
The canonical SMILES for 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen is C#CC#CC#CC#CN(/N=C/c1cc2cc(OC(=O)C3CCC(C(=O)Oc4ccc(OCCCCCCOC(=O)C=C)cc4)CC3)ccc2cc1OC(=O)C1CCC(C(=O)Oc2ccc(OCCCCCCOC(=O)C=C)cc2)CC1)c1nc2ccccc2s1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3cc(/C=N/N(CCCCCC)c4nc5ccccc5s4)c(OC(=O)C4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5)CC4)c4ccccc34)CC2)cc1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3cc(/C=N/Nc4nc5ccccc5s4)c(OC(=O)C4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5)CC4)c4ccccc34)CC2)cc1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc4cc(OC(=O)C5CCC(C(=O)Oc6ccc(OCCCCCCOC(=O)C=C)cc6)CC5)c(/C=N/Nc5nc6ccccc6s5)cc4c3)CC2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen?
The InChIKey is CWGDFNIMPQVDAR-KIWLBFOMSA-N. The full InChI is InChI=1S/C72H69N3O14S.C70H81N3O14S.2C64H69N3O14S.6H2/c1-4-7-8-9-10-17-42-75(72-74-63-22-15-16-23-65(63)90-72)73-50-57-47-56-48-62(88-70(80)53-26-24-51(25-27-53)68(78)86-60-38-34-58(35-39-60)82-43-18-11-13-20-45-84-66(76)5-2)33-32-55(56)49-64(57)89-71(81)54-30-28-52(29-31-54)69(79)87-61-40-36-59(37-41-61)83-44-19-12-14-21-46-85-67(77)6-3;1-4-7-8-17-42-73(70-72-60-24-15-16-25-62(60)88-70)71-48-53-47-61(86-68(78)51-30-26-49(27-31-51)66(76)84-56-38-34-54(35-39-56)80-43-18-9-11-20-45-82-63(74)5-2)58-22-13-14-23-59(58)65(53)87-69(79)52-32-28-50(29-33-52)67(77)85-57-40-36-55(37-41-57)81-44-19-10-12-21-46-83-64(75)6-3;1-3-57(68)76-39-15-7-5-13-37-74-48-29-33-50(34-30-48)78-60(70)43-21-25-45(26-22-43)62(72)80-55-41-47(42-65-67-64-66-54-19-11-12-20-56(54)82-64)59(53-18-10-9-17-52(53)55)81-63(73)46-27-23-44(24-28-46)61(71)79-51-35-31-49(32-36-51)75-38-14-6-8-16-40-77-58(69)4-2;1-3-58(68)76-37-13-7-5-11-35-74-50-27-31-52(32-28-50)78-60(70)43-17-19-45(20-18-43)62(72)80-54-26-25-47-41-56(49(39-48(47)40-54)42-65-67-64-66-55-15-9-10-16-57(55)82-64)81-63(73)46-23-21-44(22-24-46)61(71)79-53-33-29-51(30-34-53)75-36-12-6-8-14-38-77-59(69)4-2;;;;;;/h1,5-6,15-16,22-23,32-41,47-54H,2-3,11-14,18-21,24-31,43-46H2;5-6,13-16,22-25,34-41,47-52H,2-4,7-12,17-21,26-33,42-46H2,1H3;3-4,9-12,17-20,29-36,41-46H,1-2,5-8,13-16,21-28,37-40H2,(H,66,67);3-4,9-10,15-16,25-34,39-46H,1-2,5-8,11-14,17-24,35-38H2,(H,66,67);6*1H/b73-50+;71-48+;2*65-42+;;;;;;.
What are the key properties of 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen?
4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen has a molecular weight of 4737.67 g/mol, XLogP of 54.91, 121 rotatable bonds, 2 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[3-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[7-[(E)-[1,3-benzothiazol-2-yl(octa-1,3,5,7-tetraynyl)hydrazinylidene]methyl]-6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxynaphthalen-2-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen is sourced from PubChem (CID 172962781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).