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

C385H340N8O62 — CID 160838241

IUPAC1-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
SMILESCCCCC(CC)COC(=O)c1ccc(OC(=O)c2ccc(C(=O)c3ccc(C(=O)OCC(CC)CCCC)cc3)cc2)cc1.CCCCC(CC)COc1ccc(OC(=O)c2ccc(C(=O)c3ccc(OCC(CC)CCCC)cc3)cc2)cc1.CCCCCCCc1ccc(C(=O)c2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(C(=O)c3ccc(CC)cc3)cc2)cc1.COC(=O)c1ccc(OC(=O)c2ccc(C(=O)c3ccc(C(=O)OC)cc3)cc2)cc1.COc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.COc1ccc(OC(=O)c2ccc(C)cc2)cc1.COc1ccc(OC(=O)c2ccc3cc(C(=O)c4ccc(OC)cc4)ccc3c2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)c2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)Oc3ccc(C=O)cc3)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C(=O)c3ccc(C)cc3)nc2)cc1.[C-]#[N+]c1ccc(C(=O)c2ccc(C)cc2)cc1.[C-]#[N+]c1ccc(OC(=O)c2ccc(OC(=O)CCC(=O)Oc3ccc(C(=O)c4ccc(C#N)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H46O7.C36H46O5.C32H20N2O7.C28H30O3.C26H20O5.C24H18O7.C24H22O3.C22H16O4.2C22H18O3.C21H17NO3.C15H11NO3.2C15H11NO2.2C15H11NO.C15H14O3/c1-5-9-11-27(7-3)25-43-36(40)31-17-13-29(14-18-31)35(39)30-15-19-33(20-16-30)38(42)45-34-23-21-32(22-24-34)37(41)44-26-28(8-4)12-10-6-2;1-5-9-11-27(7-3)25-39-32-19-17-30(18-20-32)35(37)29-13-15-31(16-14-29)36(38)41-34-23-21-33(22-24-34)40-26-28(8-4)12-10-6-2;1-34-25-10-16-28(17-11-25)41-32(38)24-8-14-27(15-9-24)40-30(36)19-18-29(35)39-26-12-6-23(7-13-26)31(37)22-4-2-21(20-33)3-5-22;1-3-4-5-6-7-8-22-11-13-23(14-12-22)27(29)24-15-17-25(18-16-24)28(30)31-26-19-9-21(2)10-20-26;1-29-22-9-7-17(8-10-22)25(27)20-5-3-19-16-21(6-4-18(19)15-20)26(28)31-24-13-11-23(30-2)12-14-24;1-29-22(26)17-7-3-15(4-8-17)21(25)16-5-9-19(10-6-16)24(28)31-20-13-11-18(12-14-20)23(27)30-2;1-3-17-5-9-19(10-6-17)23(25)20-11-13-21(14-12-20)24(26)27-22-15-7-18(4-2)8-16-22;1-15-2-6-17(7-3-15)21(24)18-8-10-19(11-9-18)22(25)26-20-12-4-16(14-23)5-13-20;2*1-15-3-7-17(8-4-15)21(23)18-9-11-19(12-10-18)22(24)25-20-13-5-16(2)6-14-20;1-14-3-7-16(8-4-14)20(23)19-12-9-17(13-22-19)21(24)25-18-10-5-15(2)6-11-18;1-18-13-8-4-12(5-9-13)15(17)19-14-6-2-11(10-16)3-7-14;2*1-11-2-6-13(7-3-11)15(17)18-14-8-4-12(10-16)5-9-14;1-11-2-6-13(7-3-11)15(17)14-8-4-12(10-16)5-9-14;1-11-3-5-12(6-4-11)15(17)13-7-9-14(16-2)10-8-13;1-11-3-5-12(6-4-11)15(16)18-14-9-7-13(17-2)8-10-14/h13-24,27-28H,5-12,25-26H2,1-4H3;13-24,27-28H,5-12,25-26H2,1-4H3;2-17H,18-19H2;9-20H,3-8H2,1-2H3;3-16H,1-2H3;3-14H,1-2H3;5-16H,3-4H2,1-2H3;2-14H,1H3;2*3-14H,1-2H3;3-13H,1-2H3;2-9H,1H3;2*2-9H,1H3;2-9H,1H3;3-10H,1H3;3-10H,1-2H3
InChIKeySHRMHLNYZHVUCC-UHFFFAOYSA-N
MW6070.95 g/mol
LogP82.27
Rot. Bonds104

About 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

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 (PubChem CID 160838241) has the molecular formula C385H340N8O62 and a molecular weight of 6070.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID160838241
Molecular FormulaC385H340N8O62
Molecular Weight6070.95 g/mol
Exact Mass6066.37
IUPAC Name1-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
SMILESCCCCC(CC)COC(=O)c1ccc(OC(=O)c2ccc(C(=O)c3ccc(C(=O)OCC(CC)CCCC)cc3)cc2)cc1.CCCCC(CC)COc1ccc(OC(=O)c2ccc(C(=O)c3ccc(OCC(CC)CCCC)cc3)cc2)cc1.CCCCCCCc1ccc(C(=O)c2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(C(=O)c3ccc(CC)cc3)cc2)cc1.COC(=O)c1ccc(OC(=O)c2ccc(C(=O)c3ccc(C(=O)OC)cc3)cc2)cc1.COc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.COc1ccc(OC(=O)c2ccc(C)cc2)cc1.COc1ccc(OC(=O)c2ccc3cc(C(=O)c4ccc(OC)cc4)ccc3c2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)c2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)Oc3ccc(C=O)cc3)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C(=O)c3ccc(C)cc3)nc2)cc1.[C-]#[N+]c1ccc(C(=O)c2ccc(C)cc2)cc1.[C-]#[N+]c1ccc(OC(=O)c2ccc(OC(=O)CCC(=O)Oc3ccc(C(=O)c4ccc(C#N)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H46O7.C36H46O5.C32H20N2O7.C28H30O3.C26H20O5.C24H18O7.C24H22O3.C22H16O4.2C22H18O3.C21H17NO3.C15H11NO3.2C15H11NO2.2C15H11NO.C15H14O3/c1-5-9-11-27(7-3)25-43-36(40)31-17-13-29(14-18-31)35(39)30-15-19-33(20-16-30)38(42)45-34-23-21-32(22-24-34)37(41)44-26-28(8-4)12-10-6-2;1-5-9-11-27(7-3)25-39-32-19-17-30(18-20-32)35(37)29-13-15-31(16-14-29)36(38)41-34-23-21-33(22-24-34)40-26-28(8-4)12-10-6-2;1-34-25-10-16-28(17-11-25)41-32(38)24-8-14-27(15-9-24)40-30(36)19-18-29(35)39-26-12-6-23(7-13-26)31(37)22-4-2-21(20-33)3-5-22;1-3-4-5-6-7-8-22-11-13-23(14-12-22)27(29)24-15-17-25(18-16-24)28(30)31-26-19-9-21(2)10-20-26;1-29-22-9-7-17(8-10-22)25(27)20-5-3-19-16-21(6-4-18(19)15-20)26(28)31-24-13-11-23(30-2)12-14-24;1-29-22(26)17-7-3-15(4-8-17)21(25)16-5-9-19(10-6-16)24(28)31-20-13-11-18(12-14-20)23(27)30-2;1-3-17-5-9-19(10-6-17)23(25)20-11-13-21(14-12-20)24(26)27-22-15-7-18(4-2)8-16-22;1-15-2-6-17(7-3-15)21(24)18-8-10-19(11-9-18)22(25)26-20-12-4-16(14-23)5-13-20;2*1-15-3-7-17(8-4-15)21(23)18-9-11-19(12-10-18)22(24)25-20-13-5-16(2)6-14-20;1-14-3-7-16(8-4-14)20(23)19-12-9-17(13-22-19)21(24)25-18-10-5-15(2)6-11-18;1-18-13-8-4-12(5-9-13)15(17)19-14-6-2-11(10-16)3-7-14;2*1-11-2-6-13(7-3-11)15(17)18-14-8-4-12(10-16)5-9-14;1-11-2-6-13(7-3-11)15(17)14-8-4-12(10-16)5-9-14;1-11-3-5-12(6-4-11)15(17)13-7-9-14(16-2)10-8-13;1-11-3-5-12(6-4-11)15(16)18-14-9-7-13(17-2)8-10-14/h13-24,27-28H,5-12,25-26H2,1-4H3;13-24,27-28H,5-12,25-26H2,1-4H3;2-17H,18-19H2;9-20H,3-8H2,1-2H3;3-16H,1-2H3;3-14H,1-2H3;5-16H,3-4H2,1-2H3;2-14H,1H3;2*3-14H,1-2H3;3-13H,1-2H3;2-9H,1H3;2*2-9H,1H3;2-9H,1H3;3-10H,1H3;3-10H,1-2H3
InChIKeySHRMHLNYZHVUCC-UHFFFAOYSA-N
XLogP82.27
TPSA987.22 Ų
H-Bond Donors
H-Bond Acceptors68
Rotatable Bonds104
Heavy Atoms455
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006070.95
LogP ≤ 582.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1068

Analyze 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 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
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
(4-hexylphenyl) 4-(4-cyanobenzoyl)oxy-3-methoxybenzoate
CID 71410617
6-O-methyl 2-O-(4-pentylphenyl) naphthalene-2,6-dicarboxylate
CID 611612
(4-pentylphenyl) 4-formylbenzoate
CID 14085632
2-ethylhexyl 4-formylbenzoate
CID 138566584
[4-(2-ethylhexoxycarbonyl)phenyl] 4-(4-octoxyphenyl)benzoate
CID 67893826
[4-[(4-cyanophenyl)iminomethyl]phenyl] 4-hexylbenzoate
CID 4623457
(4-pentoxyphenyl) 4-hexylbenzoate;(4-pentylphenyl) 4-methylbenzoate;(4-pentylphenyl) 4-pentylbenzoate
CID 162088804
(4-methylphenyl) 4-pentylbenzoate
CID 22089472
[4-[5-[4-[4-[4-(2-ethylhexoxy)phenyl]benzoyl]oxyphenoxy]pentoxy]phenyl] 4-[4-(2-ethylhexoxy)phenyl]benzoate
CID 122380529

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC(CC)COC(=O)c1ccc(OC(=O)c2ccc(C(=O)c3ccc(C(=O)OCC(CC)CCCC)cc3)cc2)cc1.CCCCC(CC)COc1ccc(OC(=O)c2ccc(C(=O)c3ccc(OCC(CC)CCCC)cc3)cc2)cc1.CCCCCCCc1ccc(C(=O)c2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(C(=O)c3ccc(CC)cc3)cc2)cc1.COC(=O)c1ccc(OC(=O)c2ccc(C(=O)c3ccc(C(=O)OC)cc3)cc2)cc1.COc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.COc1ccc(OC(=O)c2ccc(C)cc2)cc1.COc1ccc(OC(=O)c2ccc3cc(C(=O)c4ccc(OC)cc4)ccc3c2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)c2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)Oc3ccc(C=O)cc3)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C(=O)c3ccc(C)cc3)nc2)cc1.[C-]#[N+]c1ccc(C(=O)c2ccc(C)cc2)cc1.[C-]#[N+]c1ccc(OC(=O)c2ccc(OC(=O)CCC(=O)Oc3ccc(C(=O)c4ccc(C#N)cc4)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is SHRMHLNYZHVUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46O7.C36H46O5.C32H20N2O7.C28H30O3.C26H20O5.C24H18O7.C24H22O3.C22H16O4.2C22H18O3.C21H17NO3.C15H11NO3.2C15H11NO2.2C15H11NO.C15H14O3/c1-5-9-11-27(7-3)25-43-36(40)31-17-13-29(14-18-31)35(39)30-15-19-33(20-16-30)38(42)45-34-23-21-32(22-24-34)37(41)44-26-28(8-4)12-10-6-2;1-5-9-11-27(7-3)25-39-32-19-17-30(18-20-32)35(37)29-13-15-31(16-14-29)36(38)41-34-23-21-33(22-24-34)40-26-28(8-4)12-10-6-2;1-34-25-10-16-28(17-11-25)41-32(38)24-8-14-27(15-9-24)40-30(36)19-18-29(35)39-26-12-6-23(7-13-26)31(37)22-4-2-21(20-33)3-5-22;1-3-4-5-6-7-8-22-11-13-23(14-12-22)27(29)24-15-17-25(18-16-24)28(30)31-26-19-9-21(2)10-20-26;1-29-22-9-7-17(8-10-22)25(27)20-5-3-19-16-21(6-4-18(19)15-20)26(28)31-24-13-11-23(30-2)12-14-24;1-29-22(26)17-7-3-15(4-8-17)21(25)16-5-9-19(10-6-16)24(28)31-20-13-11-18(12-14-20)23(27)30-2;1-3-17-5-9-19(10-6-17)23(25)20-11-13-21(14-12-20)24(26)27-22-15-7-18(4-2)8-16-22;1-15-2-6-17(7-3-15)21(24)18-8-10-19(11-9-18)22(25)26-20-12-4-16(14-23)5-13-20;2*1-15-3-7-17(8-4-15)21(23)18-9-11-19(12-10-18)22(24)25-20-13-5-16(2)6-14-20;1-14-3-7-16(8-4-14)20(23)19-12-9-17(13-22-19)21(24)25-18-10-5-15(2)6-11-18;1-18-13-8-4-12(5-9-13)15(17)19-14-6-2-11(10-16)3-7-14;2*1-11-2-6-13(7-3-11)15(17)18-14-8-4-12(10-16)5-9-14;1-11-2-6-13(7-3-11)15(17)14-8-4-12(10-16)5-9-14;1-11-3-5-12(6-4-11)15(17)13-7-9-14(16-2)10-8-13;1-11-3-5-12(6-4-11)15(16)18-14-9-7-13(17-2)8-10-14/h13-24,27-28H,5-12,25-26H2,1-4H3;13-24,27-28H,5-12,25-26H2,1-4H3;2-17H,18-19H2;9-20H,3-8H2,1-2H3;3-16H,1-2H3;3-14H,1-2H3;5-16H,3-4H2,1-2H3;2-14H,1H3;2*3-14H,1-2H3;3-13H,1-2H3;2-9H,1H3;2*2-9H,1H3;2-9H,1H3;3-10H,1H3;3-10H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 6070.95 g/mol, XLogP of 82.27, 104 rotatable bonds, 0 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160838241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).