bis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate

C279H271N7O49 — CID 162088747

IUPACbis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate
SMILESCCCCCCCOC(=O)c1ccc(OC(=O)C=CC(=O)Oc2ccc(C(=O)OCCCCCCC)cc2)cc1.CCCCCCCc1ccc(OC(=O)C=CC(=O)Oc2ccc(CCCCCCC)cc2)cc1.CCCCCCCc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.CCCCCCOc1ccc(OC(=O)C=CC(=O)Oc2ccc(OCCCCCC)cc2)cc1.CCc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(CC)cc3)cc2)cc1.COc1ccc(OC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.N#Cc1ccc(OC(=O)c2ccc(CO)cc2)cc1.[C-]#[N+]c1ccc(C(=O)Oc2ccc(C)cc2)cc1.[C-]#[N+]c1ccc(OC(=O)c2ccc(OC(=O)CCC(=O)c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C32H40O8.C30H40O4.C28H36O6.C28H30O4.C25H16N2O5.C24H22O4.C22H18O4.C15H11NO3.4C15H11NO2.C15H14O3/c1-3-5-7-9-11-23-37-31(35)25-13-17-27(18-14-25)39-29(33)21-22-30(34)40-28-19-15-26(16-20-28)32(36)38-24-12-10-8-6-4-2;1-3-5-7-9-11-13-25-15-19-27(20-16-25)33-29(31)23-24-30(32)34-28-21-17-26(18-22-28)14-12-10-8-6-4-2;1-3-5-7-9-21-31-23-11-15-25(16-12-23)33-27(29)19-20-28(30)34-26-17-13-24(14-18-26)32-22-10-8-6-4-2;1-3-4-5-6-7-8-22-11-19-26(20-12-22)32-28(30)24-15-13-23(14-16-24)27(29)31-25-17-9-21(2)10-18-25;1-27-20-8-12-22(13-9-20)32-25(30)19-6-10-21(11-7-19)31-24(29)15-14-23(28)18-4-2-17(16-26)3-5-18;1-3-17-5-13-21(14-6-17)27-23(25)19-9-11-20(12-10-19)24(26)28-22-15-7-18(4-2)8-16-22;1-15-3-11-19(12-4-15)25-21(23)17-7-9-18(10-8-17)22(24)26-20-13-5-16(2)6-14-20;16-9-11-3-7-14(8-4-11)19-15(18)13-5-1-12(10-17)2-6-13;1-11-3-9-14(10-4-11)18-15(17)12-5-7-13(16-2)8-6-12;3*1-11-2-6-13(7-3-11)15(17)18-14-8-4-12(10-16)5-9-14;1-11-3-5-12(6-4-11)15(16)18-14-9-7-13(17-2)8-10-14/h13-22H,3-12,23-24H2,1-2H3;15-24H,3-14H2,1-2H3;11-20H,3-10,21-22H2,1-2H3;9-20H,3-8H2,1-2H3;2-13H,14-15H2;5-16H,3-4H2,1-2H3;3-14H,1-2H3;1-8,17H,10H2;3-10H,1H3;3*2-9H,1H3;3-10H,1-2H3
InChIKeyZDHVAVDTAURYPM-UHFFFAOYSA-N
MW4506.24 g/mol
LogP61.81
Rot. Bonds91

About bis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate

bis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate (PubChem CID 162088747) has the molecular formula C279H271N7O49 and a molecular weight of 4506.24 g/mol. Its IUPAC name is bis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate.

Molecular Properties

Compound Namebis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate
PubChem CID162088747
Molecular FormulaC279H271N7O49
Molecular Weight4506.24 g/mol
Exact Mass4502.89
IUPAC Namebis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate
SMILESCCCCCCCOC(=O)c1ccc(OC(=O)C=CC(=O)Oc2ccc(C(=O)OCCCCCCC)cc2)cc1.CCCCCCCc1ccc(OC(=O)C=CC(=O)Oc2ccc(CCCCCCC)cc2)cc1.CCCCCCCc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.CCCCCCOc1ccc(OC(=O)C=CC(=O)Oc2ccc(OCCCCCC)cc2)cc1.CCc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(CC)cc3)cc2)cc1.COc1ccc(OC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.N#Cc1ccc(OC(=O)c2ccc(CO)cc2)cc1.[C-]#[N+]c1ccc(C(=O)Oc2ccc(C)cc2)cc1.[C-]#[N+]c1ccc(OC(=O)c2ccc(OC(=O)CCC(=O)c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C32H40O8.C30H40O4.C28H36O6.C28H30O4.C25H16N2O5.C24H22O4.C22H18O4.C15H11NO3.4C15H11NO2.C15H14O3/c1-3-5-7-9-11-23-37-31(35)25-13-17-27(18-14-25)39-29(33)21-22-30(34)40-28-19-15-26(16-20-28)32(36)38-24-12-10-8-6-4-2;1-3-5-7-9-11-13-25-15-19-27(20-16-25)33-29(31)23-24-30(32)34-28-21-17-26(18-22-28)14-12-10-8-6-4-2;1-3-5-7-9-21-31-23-11-15-25(16-12-23)33-27(29)19-20-28(30)34-26-17-13-24(14-18-26)32-22-10-8-6-4-2;1-3-4-5-6-7-8-22-11-19-26(20-12-22)32-28(30)24-15-13-23(14-16-24)27(29)31-25-17-9-21(2)10-18-25;1-27-20-8-12-22(13-9-20)32-25(30)19-6-10-21(11-7-19)31-24(29)15-14-23(28)18-4-2-17(16-26)3-5-18;1-3-17-5-13-21(14-6-17)27-23(25)19-9-11-20(12-10-19)24(26)28-22-15-7-18(4-2)8-16-22;1-15-3-11-19(12-4-15)25-21(23)17-7-9-18(10-8-17)22(24)26-20-13-5-16(2)6-14-20;16-9-11-3-7-14(8-4-11)19-15(18)13-5-1-12(10-17)2-6-13;1-11-3-9-14(10-4-11)18-15(17)12-5-7-13(16-2)8-6-12;3*1-11-2-6-13(7-3-11)15(17)18-14-8-4-12(10-16)5-9-14;1-11-3-5-12(6-4-11)15(16)18-14-9-7-13(17-2)8-10-14/h13-22H,3-12,23-24H2,1-2H3;15-24H,3-14H2,1-2H3;11-20H,3-10,21-22H2,1-2H3;9-20H,3-8H2,1-2H3;2-13H,14-15H2;5-16H,3-4H2,1-2H3;3-14H,1-2H3;1-8,17H,10H2;3-10H,1H3;3*2-9H,1H3;3-10H,1-2H3
InChIKeyZDHVAVDTAURYPM-UHFFFAOYSA-N
XLogP61.81
TPSA771.26 Ų
H-Bond Donors1
H-Bond Acceptors54
Rotatable Bonds91
Heavy Atoms335
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004506.24
LogP ≤ 561.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1054

Analyze bis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate with MolForge

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Related Compounds

bis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate
CID 159364639
1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanobenzoyl)oxyphenyl] butanedioate;(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate
CID 91038486
1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);[4-(2-ethylhexoxy)phenyl] 4-[4-(2-ethylhexoxy)benzoyl]benzoate;2-ethylhexyl 4-[4-[4-(2-ethylhexoxycarbonyl)phenoxy]carbonylbenzoyl]benzoate;(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-formylphenyl) 4-(4-methylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 6-(4-methoxybenzoyl)naphthalene-2-carboxylate;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;methyl 4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]benzoate;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate;bis((4-methylphenyl) 4-(4-methylbenzoyl)benzoate);(4-methylphenyl) 6-(4-methylbenzoyl)pyridine-3-carboxylate
CID 160838241
(4-pentoxyphenyl) 4-hexylbenzoate;(4-pentylphenyl) 4-methylbenzoate;(4-pentylphenyl) 4-pentylbenzoate
CID 162088804
[4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 158853417
bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;[4-(4-hexanoyloxybenzoyl)oxycyclohexyl] 4-hexanoyloxybenzoate;[4-(4-octanoyloxybenzoyl)oxycyclohexyl] 4-octanoyloxybenzoate
CID 158951272
ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate
CID 162074025
bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate)
CID 159211886
7-[4-[4-(4-nonylphenoxy)carbonylphenoxy]carbonylphenoxy]heptyl 4-(4-heptylphenyl)benzoate
CID 102091630
methoxymethane;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-propylbenzoate
CID 157170945
[4-(4-hexoxyphenyl)phenyl] 4-isocyanobenzoate
CID 15898608
(4-methoxyphenyl) 4-(6-propanoyloxyhexyl)benzoate
CID 101128329

Frequently Asked Questions

What is the IUPAC name of bis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate?
The IUPAC name of bis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate (CID 162088747) is bis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate.
What is the SMILES notation for bis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate?
The canonical SMILES for bis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate is CCCCCCCOC(=O)c1ccc(OC(=O)C=CC(=O)Oc2ccc(C(=O)OCCCCCCC)cc2)cc1.CCCCCCCc1ccc(OC(=O)C=CC(=O)Oc2ccc(CCCCCCC)cc2)cc1.CCCCCCCc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.CCCCCCOc1ccc(OC(=O)C=CC(=O)Oc2ccc(OCCCCCC)cc2)cc1.CCc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(CC)cc3)cc2)cc1.COc1ccc(OC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.N#Cc1ccc(OC(=O)c2ccc(CO)cc2)cc1.[C-]#[N+]c1ccc(C(=O)Oc2ccc(C)cc2)cc1.[C-]#[N+]c1ccc(OC(=O)c2ccc(OC(=O)CCC(=O)c3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of bis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate?
The InChIKey is ZDHVAVDTAURYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40O8.C30H40O4.C28H36O6.C28H30O4.C25H16N2O5.C24H22O4.C22H18O4.C15H11NO3.4C15H11NO2.C15H14O3/c1-3-5-7-9-11-23-37-31(35)25-13-17-27(18-14-25)39-29(33)21-22-30(34)40-28-19-15-26(16-20-28)32(36)38-24-12-10-8-6-4-2;1-3-5-7-9-11-13-25-15-19-27(20-16-25)33-29(31)23-24-30(32)34-28-21-17-26(18-22-28)14-12-10-8-6-4-2;1-3-5-7-9-21-31-23-11-15-25(16-12-23)33-27(29)19-20-28(30)34-26-17-13-24(14-18-26)32-22-10-8-6-4-2;1-3-4-5-6-7-8-22-11-19-26(20-12-22)32-28(30)24-15-13-23(14-16-24)27(29)31-25-17-9-21(2)10-18-25;1-27-20-8-12-22(13-9-20)32-25(30)19-6-10-21(11-7-19)31-24(29)15-14-23(28)18-4-2-17(16-26)3-5-18;1-3-17-5-13-21(14-6-17)27-23(25)19-9-11-20(12-10-19)24(26)28-22-15-7-18(4-2)8-16-22;1-15-3-11-19(12-4-15)25-21(23)17-7-9-18(10-8-17)22(24)26-20-13-5-16(2)6-14-20;16-9-11-3-7-14(8-4-11)19-15(18)13-5-1-12(10-17)2-6-13;1-11-3-9-14(10-4-11)18-15(17)12-5-7-13(16-2)8-6-12;3*1-11-2-6-13(7-3-11)15(17)18-14-8-4-12(10-16)5-9-14;1-11-3-5-12(6-4-11)15(16)18-14-9-7-13(17-2)8-10-14/h13-22H,3-12,23-24H2,1-2H3;15-24H,3-14H2,1-2H3;11-20H,3-10,21-22H2,1-2H3;9-20H,3-8H2,1-2H3;2-13H,14-15H2;5-16H,3-4H2,1-2H3;3-14H,1-2H3;1-8,17H,10H2;3-10H,1H3;3*2-9H,1H3;3-10H,1-2H3.
What are the key properties of bis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate?
bis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate has a molecular weight of 4506.24 g/mol, XLogP of 61.81, 91 rotatable bonds, 1 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate is sourced from PubChem (CID 162088747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).