About [4-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[8-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxyphenoxy]octoxy]phenoxy]carbonylphenyl] 4-tert-butylbenzoate;[4-[4-[4-[3-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[3-methyl-4-[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carbonyl]oxybenzoyl]oxyphenyl]butyl]-2-methylphenoxy]carbonylphenyl] 5-[(E)-[1,3-benzothiazol-2-yl(butanoyl)hydrazinylidene]methyl]-6-(6-ethoxyhexoxy)naphthalene-2-carboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[4-[4-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-(5-methylhexylsulfanyl)phenoxy]carbonylphenoxy]butoxy]benzoyl]oxyphenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3-methylbenzoate
[4-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[8-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxyphenoxy]octoxy]phenoxy]carbonylphenyl] 4-tert-butylbenzoate;[4-[4-[4-[3-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[3-methyl-4-[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carbonyl]oxybenzoyl]oxyphenyl]butyl]-2-methylphenoxy]carbonylphenyl] 5-[(E)-[1,3-benzothiazol-2-yl(butanoyl)hydrazinylidene]methyl]-6-(6-ethoxyhexoxy)naphthalene-2-carboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[4-[4-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-(5-methylhexylsulfanyl)phenoxy]carbonylphenoxy]butoxy]benzoyl]oxyphenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3-methylbenzoate (PubChem CID 172918800) has the molecular formula C256H252N16O39S5
and a molecular weight of 4337.24 g/mol. Its IUPAC name is [4-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[8-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxyphenoxy]octoxy]phenoxy]carbonylphenyl] 4-tert-butylbenzoate;[4-[4-[4-[3-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[3-methyl-4-[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carbonyl]oxybenzoyl]oxyphenyl]butyl]-2-methylphenoxy]carbonylphenyl] 5-[(E)-[1,3-benzothiazol-2-yl(butanoyl)hydrazinylidene]methyl]-6-(6-ethoxyhexoxy)naphthalene-2-carboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[4-[4-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-(5-methylhexylsulfanyl)phenoxy]carbonylphenoxy]butoxy]benzoyl]oxyphenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3-methylbenzoate.
Frequently Asked Questions
What is the IUPAC name of [4-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[8-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxyphenoxy]octoxy]phenoxy]carbonylphenyl] 4-tert-butylbenzoate;[4-[4-[4-[3-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[3-methyl-4-[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carbonyl]oxybenzoyl]oxyphenyl]butyl]-2-methylphenoxy]carbonylphenyl] 5-[(E)-[1,3-benzothiazol-2-yl(butanoyl)hydrazinylidene]methyl]-6-(6-ethoxyhexoxy)naphthalene-2-carboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[4-[4-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-(5-methylhexylsulfanyl)phenoxy]carbonylphenoxy]butoxy]benzoyl]oxyphenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3-methylbenzoate?
The IUPAC name of [4-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[8-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxyphenoxy]octoxy]phenoxy]carbonylphenyl] 4-tert-butylbenzoate;[4-[4-[4-[3-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[3-methyl-4-[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carbonyl]oxybenzoyl]oxyphenyl]butyl]-2-methylphenoxy]carbonylphenyl] 5-[(E)-[1,3-benzothiazol-2-yl(butanoyl)hydrazinylidene]methyl]-6-(6-ethoxyhexoxy)naphthalene-2-carboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[4-[4-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-(5-methylhexylsulfanyl)phenoxy]carbonylphenoxy]butoxy]benzoyl]oxyphenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3-methylbenzoate (CID 172918800) is [4-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[8-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxyphenoxy]octoxy]phenoxy]carbonylphenyl] 4-tert-butylbenzoate;[4-[4-[4-[3-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[3-methyl-4-[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carbonyl]oxybenzoyl]oxyphenyl]butyl]-2-methylphenoxy]carbonylphenyl] 5-[(E)-[1,3-benzothiazol-2-yl(butanoyl)hydrazinylidene]methyl]-6-(6-ethoxyhexoxy)naphthalene-2-carboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[4-[4-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-(5-methylhexylsulfanyl)phenoxy]carbonylphenoxy]butoxy]benzoyl]oxyphenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3-methylbenzoate.
What is the SMILES notation for [4-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[8-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxyphenoxy]octoxy]phenoxy]carbonylphenyl] 4-tert-butylbenzoate;[4-[4-[4-[3-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[3-methyl-4-[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carbonyl]oxybenzoyl]oxyphenyl]butyl]-2-methylphenoxy]carbonylphenyl] 5-[(E)-[1,3-benzothiazol-2-yl(butanoyl)hydrazinylidene]methyl]-6-(6-ethoxyhexoxy)naphthalene-2-carboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[4-[4-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-(5-methylhexylsulfanyl)phenoxy]carbonylphenoxy]butoxy]benzoyl]oxyphenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3-methylbenzoate?
The canonical SMILES for [4-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[8-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxyphenoxy]octoxy]phenoxy]carbonylphenyl] 4-tert-butylbenzoate;[4-[4-[4-[3-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[3-methyl-4-[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carbonyl]oxybenzoyl]oxyphenyl]butyl]-2-methylphenoxy]carbonylphenyl] 5-[(E)-[1,3-benzothiazol-2-yl(butanoyl)hydrazinylidene]methyl]-6-(6-ethoxyhexoxy)naphthalene-2-carboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[4-[4-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-(5-methylhexylsulfanyl)phenoxy]carbonylphenoxy]butoxy]benzoyl]oxyphenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3-methylbenzoate is C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OCCCCCCCCOc4ccc(OC(=O)c5ccc(OC(=O)c6ccc(C(C)(C)C)cc6)cc5)c(/C=N/Nc5nc6ccccc6s5)c4)cc3/C=N/Nc3nc4ccccc4s3)cc2)cc1.CCC1(COCCCCCCOc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(OCCCCOc5ccc(C(=O)Oc6ccc(SCCCCC(C)C)c(/C=N/N=C7c8ccccc8-c8ccccc87)c6)cc5)cc4)cc3/C=N/N=C3c4ccccc4-c4ccccc43)cc2C)COC1.CCCC(=O)N(/N=C/c1c(OCCCCCCOCC)ccc2cc(C(=O)Oc3ccc(C(=O)Oc4ccc(CCCCc5ccc(OC(=O)c6ccc(OC(=O)c7ccc8cc(OCCCOCC9CCC%10OC%10C9)ccc8c7)c(C)c6)c(/C=N/N(CCO)c6nc7ccccc7s6)c5)cc4C)cc3)ccc12)c1nc2ccccc2s1.
What is the InChIKey of [4-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[8-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxyphenoxy]octoxy]phenoxy]carbonylphenyl] 4-tert-butylbenzoate;[4-[4-[4-[3-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[3-methyl-4-[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carbonyl]oxybenzoyl]oxyphenyl]butyl]-2-methylphenoxy]carbonylphenyl] 5-[(E)-[1,3-benzothiazol-2-yl(butanoyl)hydrazinylidene]methyl]-6-(6-ethoxyhexoxy)naphthalene-2-carboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[4-[4-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-(5-methylhexylsulfanyl)phenoxy]carbonylphenoxy]butoxy]benzoyl]oxyphenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3-methylbenzoate?
The InChIKey is JCNRVZQPAXRXFI-GPKGJPNKSA-N. The full InChI is InChI=1S/C94H94N6O15S2.C85H84N4O11S.C77H74N6O13S2/c1-5-18-88(102)100(94-98-79-22-12-14-24-87(79)117-94)96-59-77-76-39-33-72(56-69(76)34-44-83(77)110-49-16-8-7-15-47-107-6-2)90(104)111-74-36-30-66(31-37-74)89(103)113-80-40-25-63(51-61(80)3)19-9-10-20-64-26-41-82(73(53-64)58-95-99(45-46-101)93-97-78-21-11-13-23-86(78)116-93)115-91(105)70-35-43-81(62(4)52-70)114-92(106)71-29-28-68-57-75(38-32-67(68)55-71)109-50-17-48-108-60-65-27-42-84-85(54-65)112-84;1-5-85(56-94-57-85)55-93-45-17-6-7-18-48-97-77-42-35-62(50-59(77)4)84(92)100-78-43-40-67(51-63(78)53-86-88-80-73-27-12-8-23-69(73)70-24-9-13-28-74(70)80)98-82(90)60-31-36-65(37-32-60)95-46-19-20-47-96-66-38-33-61(34-39-66)83(91)99-68-41-44-79(101-49-21-16-22-58(2)3)64(52-68)54-87-89-81-75-29-14-10-25-71(75)72-26-11-15-30-76(72)81;1-5-70(84)92-47-19-11-10-18-44-89-59-34-26-53(27-35-59)72(86)94-61-38-30-55(31-39-61)74(88)96-67-43-41-63(49-57(67)51-79-83-76-81-65-21-13-15-23-69(65)98-76)91-46-17-9-7-6-8-16-45-90-62-40-42-66(56(48-62)50-78-82-75-80-64-20-12-14-22-68(64)97-75)95-73(87)54-28-36-60(37-29-54)93-71(85)52-24-32-58(33-25-52)77(2,3)4/h11-14,21-26,28-41,43-44,51-53,55-59,65,84-85,101H,5-10,15-20,27,42,45-50,54,60H2,1-4H3;8-15,23-44,50-54,58H,5-7,16-22,45-49,55-57H2,1-4H3;5,12-15,20-43,48-51H,1,6-11,16-19,44-47H2,2-4H3,(H,80,82)(H,81,83)/b95-58+,96-59+;86-53+,87-54+;78-50+,79-51+.
What are the key properties of [4-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[8-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxyphenoxy]octoxy]phenoxy]carbonylphenyl] 4-tert-butylbenzoate;[4-[4-[4-[3-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[3-methyl-4-[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carbonyl]oxybenzoyl]oxyphenyl]butyl]-2-methylphenoxy]carbonylphenyl] 5-[(E)-[1,3-benzothiazol-2-yl(butanoyl)hydrazinylidene]methyl]-6-(6-ethoxyhexoxy)naphthalene-2-carboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[4-[4-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-(5-methylhexylsulfanyl)phenoxy]carbonylphenoxy]butoxy]benzoyl]oxyphenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3-methylbenzoate?
[4-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[8-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxyphenoxy]octoxy]phenoxy]carbonylphenyl] 4-tert-butylbenzoate;[4-[4-[4-[3-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[3-methyl-4-[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carbonyl]oxybenzoyl]oxyphenyl]butyl]-2-methylphenoxy]carbonylphenyl] 5-[(E)-[1,3-benzothiazol-2-yl(butanoyl)hydrazinylidene]methyl]-6-(6-ethoxyhexoxy)naphthalene-2-carboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[4-[4-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-(5-methylhexylsulfanyl)phenoxy]carbonylphenoxy]butoxy]benzoyl]oxyphenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3-methylbenzoate has a molecular weight of 4337.24 g/mol, XLogP of 55.93, 107 rotatable bonds, 3 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[8-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxyphenoxy]octoxy]phenoxy]carbonylphenyl] 4-tert-butylbenzoate;[4-[4-[4-[3-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-[3-methyl-4-[6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carbonyl]oxybenzoyl]oxyphenyl]butyl]-2-methylphenoxy]carbonylphenyl] 5-[(E)-[1,3-benzothiazol-2-yl(butanoyl)hydrazinylidene]methyl]-6-(6-ethoxyhexoxy)naphthalene-2-carboxylate;[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-[4-[4-[3-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-(5-methylhexylsulfanyl)phenoxy]carbonylphenoxy]butoxy]benzoyl]oxyphenyl] 4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-3-methylbenzoate is sourced from PubChem (CID 172918800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).