ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate

C214H238N6O40 — CID 163567346

IUPACethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN1C(=O)c2ccc(C(=O)Oc3ccc(-c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(CC)C6=O)cc4)cc3)cc2C1=O.CCN1C(=O)c2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc(OC(=O)c5ccc(OC(=O)c6ccc7c(c6)C(=O)N(CC)C7=O)cc5)cc4)cc3)cc2C1=O.CCN1C(=O)c2ccc(C(=O)Oc3ccc(OC(=O)c4ccc5c(c4)C(=O)N(CC)C5=O)cc3)cc2C1=O.CCc1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4ccc(CC)cc4)cc3)cc2)cc1.CCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1
InChIInChI=1S/C42H28N2O12.C34H24N2O8.C30H26O4.C28H20N2O8.2C24H22O4.16C2H6/c1-3-43-35(45)31-19-9-25(21-33(31)37(43)47)41(51)55-27-11-5-23(6-12-27)39(49)53-29-15-17-30(18-16-29)54-40(50)24-7-13-28(14-8-24)56-42(52)26-10-20-32-34(22-26)38(48)44(4-2)36(32)46;1-3-35-29(37)25-15-9-21(17-27(25)31(35)39)33(41)43-23-11-5-19(6-12-23)20-7-13-24(14-8-20)44-34(42)22-10-16-26-28(18-22)32(40)36(4-2)30(26)38;1-3-21-5-9-25(10-6-21)29(31)33-27-17-13-23(14-18-27)24-15-19-28(20-16-24)34-30(32)26-11-7-22(4-2)8-12-26;1-3-29-23(31)19-11-5-15(13-21(19)25(29)33)27(35)37-17-7-9-18(10-8-17)38-28(36)16-6-12-20-22(14-16)26(34)30(4-2)24(20)32;1-3-17-5-9-19(10-6-17)23(25)28-22-15-11-20(12-16-22)24(26)27-21-13-7-18(4-2)8-14-21;1-3-17-5-9-19(10-6-17)23(25)27-21-13-15-22(16-14-21)28-24(26)20-11-7-18(4-2)8-12-20;16*1-2/h5-22H,3-4H2,1-2H3;5-18H,3-4H2,1-2H3;5-20H,3-4H2,1-2H3;5-14H,3-4H2,1-2H3;2*5-16H,3-4H2,1-2H3;16*1-2H3
InChIKeyFWINCNDABBTCJT-UHFFFAOYSA-N
MW3534.26 g/mol
LogP48.01
Rot. Bonds42

About ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate

ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate (PubChem CID 163567346) has the molecular formula C214H238N6O40 and a molecular weight of 3534.26 g/mol. Its IUPAC name is ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate.

Molecular Properties

Compound Nameethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate
PubChem CID163567346
Molecular FormulaC214H238N6O40
Molecular Weight3534.26 g/mol
Exact Mass3531.68
IUPAC Nameethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN1C(=O)c2ccc(C(=O)Oc3ccc(-c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(CC)C6=O)cc4)cc3)cc2C1=O.CCN1C(=O)c2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc(OC(=O)c5ccc(OC(=O)c6ccc7c(c6)C(=O)N(CC)C7=O)cc5)cc4)cc3)cc2C1=O.CCN1C(=O)c2ccc(C(=O)Oc3ccc(OC(=O)c4ccc5c(c4)C(=O)N(CC)C5=O)cc3)cc2C1=O.CCc1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4ccc(CC)cc4)cc3)cc2)cc1.CCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1
InChIInChI=1S/C42H28N2O12.C34H24N2O8.C30H26O4.C28H20N2O8.2C24H22O4.16C2H6/c1-3-43-35(45)31-19-9-25(21-33(31)37(43)47)41(51)55-27-11-5-23(6-12-27)39(49)53-29-15-17-30(18-16-29)54-40(50)24-7-13-28(14-8-24)56-42(52)26-10-20-32-34(22-26)38(48)44(4-2)36(32)46;1-3-35-29(37)25-15-9-21(17-27(25)31(35)39)33(41)43-23-11-5-19(6-12-23)20-7-13-24(14-8-20)44-34(42)22-10-16-26-28(18-22)32(40)36(4-2)30(26)38;1-3-21-5-9-25(10-6-21)29(31)33-27-17-13-23(14-18-27)24-15-19-28(20-16-24)34-30(32)26-11-7-22(4-2)8-12-26;1-3-29-23(31)19-11-5-15(13-21(19)25(29)33)27(35)37-17-7-9-18(10-8-17)38-28(36)16-6-12-20-22(14-16)26(34)30(4-2)24(20)32;1-3-17-5-9-19(10-6-17)23(25)28-22-15-11-20(12-16-22)24(26)27-21-13-7-18(4-2)8-14-21;1-3-17-5-9-19(10-6-17)23(25)27-21-13-15-22(16-14-21)28-24(26)20-11-7-18(4-2)8-12-20;16*1-2/h5-22H,3-4H2,1-2H3;5-18H,3-4H2,1-2H3;5-20H,3-4H2,1-2H3;5-14H,3-4H2,1-2H3;2*5-16H,3-4H2,1-2H3;16*1-2H3
InChIKeyFWINCNDABBTCJT-UHFFFAOYSA-N
XLogP48.01
TPSA592.48 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds42
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003534.26
LogP ≤ 548.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate with MolForge

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Related Compounds

[4-[2-[4-(1,3-Dioxo-2-prop-2-enylisoindole-5-carbonyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 88424331
Bis(1,3-dioxoisoindol-5-yl) butanedioate;bis(1,3-dioxoisoindol-5-yl) cyclohexane-1,4-dicarboxylate;bis(1,3-dioxoisoindol-5-yl) hexanedioate;bis(1,3-dioxoisoindol-5-yl) pentanedioate;[8-(1,3-dioxoisoindole-5-carbonyl)oxy-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl] 1,3-dioxoisoindole-5-carboxylate;[5-(1,3-dioxoisoindole-5-carbonyl)oxy-2,2,3,3,4,4-hexafluoropentyl] 1,3-dioxoisoindole-5-carboxylate;[4-(1,3-dioxoisoindole-5-carbonyl)oxy-1,1,2,2,3,3,4,4-octafluorobutyl] 1,3-dioxoisoindole-5-carboxylate;[6-(1,3-dioxoisoindole-5-carbonyl)oxy-2,2,3,3,4,4,5,5-octafluorohexyl] 1,3-dioxoisoindole-5-carboxylate;[4-(1,3-dioxoisoindole-5-carbonyl)oxy-2,2,3,3-tetrafluorobutyl] 1,3-dioxoisoindole-5-carboxylate;[2-(1,3-dioxoisoindole-5-carbonyl)oxy-1,1,2,2-tetrafluoroethyl] 1,3-dioxoisoindole-5-carboxylate
CID 160523267
Bis(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;bis(1,3-xylene)
CID 161269545
CID 161921437
CID 161921437
2-[3-[[5,11,17,23-Tetratert-butyl-26,27,28-tris[3-(1,3-dioxoisoindol-2-yl)propoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]propyl]isoindole-1,3-dione
CID 16145028
Bis(2,6-dibutyl-4,8-bis(2-phenylethynyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone);1,4-dimethoxybenzene
CID 139090680
14,18,32,36-Tetrahexoxy-3,11,21,29-tetrazaundecacyclo[29.5.3.313,19.13,6.15,9.18,11.121,24.123,27.126,29.034,38.016,44]octatetraconta-1(37),5(47),6,8,13(45),14,16,18,23,25,27(41),31,33,35,38,43-hexadecaene-4,10,22,28,40,42,46,48-octone;toluene
CID 139194649
4-{1,3-Dioxo-2-[(oxolan-2-YL)methyl]-2,3-dihydro-1H-isoindole-5-carbonyloxy}phenyl 1,3-dioxo-2-[(oxolan-2-YL)methyl]-2,3-dihydro-1H-isoindole-5-carboxylate
CID 46498786
[4-[4-(2-Hexyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-hexyl-1,3-dioxoisoindole-5-carboxylate
CID 102001346
[4-(2-Ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 22949752
(4-Methoxyphenyl) 2-[[5-(4-ethoxyphenoxy)carbonyl-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxylate
CID 54085874
6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[6-[1-[6-[1-[6-[6-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-6-oxohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide
CID 58288585

Frequently Asked Questions

What is the IUPAC name of ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate?
The IUPAC name of ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate (CID 163567346) is ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate.
What is the SMILES notation for ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate?
The canonical SMILES for ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN1C(=O)c2ccc(C(=O)Oc3ccc(-c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(CC)C6=O)cc4)cc3)cc2C1=O.CCN1C(=O)c2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc(OC(=O)c5ccc(OC(=O)c6ccc7c(c6)C(=O)N(CC)C7=O)cc5)cc4)cc3)cc2C1=O.CCN1C(=O)c2ccc(C(=O)Oc3ccc(OC(=O)c4ccc5c(c4)C(=O)N(CC)C5=O)cc3)cc2C1=O.CCc1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4ccc(CC)cc4)cc3)cc2)cc1.CCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.
What is the InChIKey of ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate?
The InChIKey is FWINCNDABBTCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O12.C34H24N2O8.C30H26O4.C28H20N2O8.2C24H22O4.16C2H6/c1-3-43-35(45)31-19-9-25(21-33(31)37(43)47)41(51)55-27-11-5-23(6-12-27)39(49)53-29-15-17-30(18-16-29)54-40(50)24-7-13-28(14-8-24)56-42(52)26-10-20-32-34(22-26)38(48)44(4-2)36(32)46;1-3-35-29(37)25-15-9-21(17-27(25)31(35)39)33(41)43-23-11-5-19(6-12-23)20-7-13-24(14-8-20)44-34(42)22-10-16-26-28(18-22)32(40)36(4-2)30(26)38;1-3-21-5-9-25(10-6-21)29(31)33-27-17-13-23(14-18-27)24-15-19-28(20-16-24)34-30(32)26-11-7-22(4-2)8-12-26;1-3-29-23(31)19-11-5-15(13-21(19)25(29)33)27(35)37-17-7-9-18(10-8-17)38-28(36)16-6-12-20-22(14-16)26(34)30(4-2)24(20)32;1-3-17-5-9-19(10-6-17)23(25)28-22-15-11-20(12-16-22)24(26)27-21-13-7-18(4-2)8-14-21;1-3-17-5-9-19(10-6-17)23(25)27-21-13-15-22(16-14-21)28-24(26)20-11-7-18(4-2)8-12-20;16*1-2/h5-22H,3-4H2,1-2H3;5-18H,3-4H2,1-2H3;5-20H,3-4H2,1-2H3;5-14H,3-4H2,1-2H3;2*5-16H,3-4H2,1-2H3;16*1-2H3.
What are the key properties of ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate?
ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate has a molecular weight of 3534.26 g/mol, XLogP of 48.01, 42 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate is sourced from PubChem (CID 163567346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).