[4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate

C197H163NO59 — CID 162080914

IUPAC[4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate
SMILESC=CC(=O)OCCCCOC(=O)c1ccc(C(=O)Oc2ccc3c(c2)C(C)(C)c2cc(OC(=O)c4ccc(C(=O)OCCCCOC(=O)C=C)cc4)ccc2-3)cc1.C=CC(=O)OCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OCOC(=O)C=C)cc3)c(C)c2)cc1.C=CC(=O)OCOc1ccc(-c2ccc(C#N)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)c3c2C2CCC3C2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)c3c2C2c4ccccc4C3c3ccccc32)cc1.C=CC(=O)OCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)c(C)c2)cc1
InChIInChI=1S/C45H42O12.C42H30O10.C33H28O10.C31H24O14.C29H26O10.C17H13NO3/c1-5-39(46)52-23-7-9-25-54-41(48)29-11-15-31(16-12-29)43(50)56-33-19-21-35-36-22-20-34(28-38(36)45(3,4)37(35)27-33)57-44(51)32-17-13-30(14-18-32)42(49)55-26-10-8-24-53-40(47)6-2;1-3-35(43)49-23-47-27-17-13-25(14-18-27)41(45)51-33-21-22-34(52-42(46)26-15-19-28(20-16-26)48-24-50-36(44)4-2)40-38-31-11-7-5-9-29(31)37(39(33)40)30-10-6-8-12-32(30)38;1-3-28(34)40-18-38-24-11-7-20(8-12-24)32(36)42-26-15-16-27(31-23-6-5-22(17-23)30(26)31)43-33(37)21-9-13-25(14-10-21)39-19-41-29(35)4-2;1-4-26(32)38-17-40-30(36)43-22-10-6-20(7-11-22)28(34)42-24-14-15-25(19(3)16-24)45-29(35)21-8-12-23(13-9-21)44-31(37)41-18-39-27(33)5-2;1-4-27(30)37-18-34-22-8-6-21(7-9-22)29(32)39-26-15-14-25(16-20(26)3)36-17-33-23-10-12-24(13-11-23)35-19-38-28(31)5-2;1-2-17(19)21-12-20-16-9-7-15(8-10-16)14-5-3-13(11-18)4-6-14/h5-6,11-22,27-28H,1-2,7-10,23-26H2,3-4H3;3-22,37-38H,1-2,23-24H2;3-4,7-16,22-23H,1-2,5-6,17-19H2;4-16H,1-2,17-18H2,3H3;4-16H,1-2,17-19H2,3H3;2-10H,1,12H2
InChIKeyZCIFEMRDJVONNX-UHFFFAOYSA-N
MW3488.42 g/mol
LogP33.52
Rot. Bonds73

About [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate

[4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate (PubChem CID 162080914) has the molecular formula C197H163NO59 and a molecular weight of 3488.42 g/mol. Its IUPAC name is [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate.

Molecular Properties

Compound Name[4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate
PubChem CID162080914
Molecular FormulaC197H163NO59
Molecular Weight3488.42 g/mol
Exact Mass3485.98
IUPAC Name[4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate
SMILESC=CC(=O)OCCCCOC(=O)c1ccc(C(=O)Oc2ccc3c(c2)C(C)(C)c2cc(OC(=O)c4ccc(C(=O)OCCCCOC(=O)C=C)cc4)ccc2-3)cc1.C=CC(=O)OCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OCOC(=O)C=C)cc3)c(C)c2)cc1.C=CC(=O)OCOc1ccc(-c2ccc(C#N)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)c3c2C2CCC3C2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)c3c2C2c4ccccc4C3c3ccccc32)cc1.C=CC(=O)OCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)c(C)c2)cc1
InChIInChI=1S/C45H42O12.C42H30O10.C33H28O10.C31H24O14.C29H26O10.C17H13NO3/c1-5-39(46)52-23-7-9-25-54-41(48)29-11-15-31(16-12-29)43(50)56-33-19-21-35-36-22-20-34(28-38(36)45(3,4)37(35)27-33)57-44(51)32-17-13-30(14-18-32)42(49)55-26-10-8-24-53-40(47)6-2;1-3-35(43)49-23-47-27-17-13-25(14-18-27)41(45)51-33-21-22-34(52-42(46)26-15-19-28(20-16-26)48-24-50-36(44)4-2)40-38-31-11-7-5-9-29(31)37(39(33)40)30-10-6-8-12-32(30)38;1-3-28(34)40-18-38-24-11-7-20(8-12-24)32(36)42-26-15-16-27(31-23-6-5-22(17-23)30(26)31)43-33(37)21-9-13-25(14-10-21)39-19-41-29(35)4-2;1-4-26(32)38-17-40-30(36)43-22-10-6-20(7-11-22)28(34)42-24-14-15-25(19(3)16-24)45-29(35)21-8-12-23(13-9-21)44-31(37)41-18-39-27(33)5-2;1-4-27(30)37-18-34-22-8-6-21(7-9-22)29(32)39-26-15-14-25(16-20(26)3)36-17-33-23-10-12-24(13-11-23)35-19-38-28(31)5-2;1-2-17(19)21-12-20-16-9-7-15(8-10-16)14-5-3-13(11-18)4-6-14/h5-6,11-22,27-28H,1-2,7-10,23-26H2,3-4H3;3-22,37-38H,1-2,23-24H2;3-4,7-16,22-23H,1-2,5-6,17-19H2;4-16H,1-2,17-18H2,3H3;4-16H,1-2,17-19H2,3H3;2-10H,1,12H2
InChIKeyZCIFEMRDJVONNX-UHFFFAOYSA-N
XLogP33.52
TPSA756.52 Ų
H-Bond Donors
H-Bond Acceptors60
Rotatable Bonds73
Heavy Atoms257
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003488.42
LogP ≤ 533.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate?
The IUPAC name of [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate (CID 162080914) is [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate.
What is the SMILES notation for [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate?
The canonical SMILES for [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate is C=CC(=O)OCCCCOC(=O)c1ccc(C(=O)Oc2ccc3c(c2)C(C)(C)c2cc(OC(=O)c4ccc(C(=O)OCCCCOC(=O)C=C)cc4)ccc2-3)cc1.C=CC(=O)OCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OCOC(=O)C=C)cc3)c(C)c2)cc1.C=CC(=O)OCOc1ccc(-c2ccc(C#N)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)c3c2C2CCC3C2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)c3c2C2c4ccccc4C3c3ccccc32)cc1.C=CC(=O)OCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)c(C)c2)cc1.
What is the InChIKey of [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate?
The InChIKey is ZCIFEMRDJVONNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42O12.C42H30O10.C33H28O10.C31H24O14.C29H26O10.C17H13NO3/c1-5-39(46)52-23-7-9-25-54-41(48)29-11-15-31(16-12-29)43(50)56-33-19-21-35-36-22-20-34(28-38(36)45(3,4)37(35)27-33)57-44(51)32-17-13-30(14-18-32)42(49)55-26-10-8-24-53-40(47)6-2;1-3-35(43)49-23-47-27-17-13-25(14-18-27)41(45)51-33-21-22-34(52-42(46)26-15-19-28(20-16-26)48-24-50-36(44)4-2)40-38-31-11-7-5-9-29(31)37(39(33)40)30-10-6-8-12-32(30)38;1-3-28(34)40-18-38-24-11-7-20(8-12-24)32(36)42-26-15-16-27(31-23-6-5-22(17-23)30(26)31)43-33(37)21-9-13-25(14-10-21)39-19-41-29(35)4-2;1-4-26(32)38-17-40-30(36)43-22-10-6-20(7-11-22)28(34)42-24-14-15-25(19(3)16-24)45-29(35)21-8-12-23(13-9-21)44-31(37)41-18-39-27(33)5-2;1-4-27(30)37-18-34-22-8-6-21(7-9-22)29(32)39-26-15-14-25(16-20(26)3)36-17-33-23-10-12-24(13-11-23)35-19-38-28(31)5-2;1-2-17(19)21-12-20-16-9-7-15(8-10-16)14-5-3-13(11-18)4-6-14/h5-6,11-22,27-28H,1-2,7-10,23-26H2,3-4H3;3-22,37-38H,1-2,23-24H2;3-4,7-16,22-23H,1-2,5-6,17-19H2;4-16H,1-2,17-18H2,3H3;4-16H,1-2,17-19H2,3H3;2-10H,1,12H2.
What are the key properties of [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate?
[4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate has a molecular weight of 3488.42 g/mol, XLogP of 33.52, 73 rotatable bonds, 0 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;4-O-[9,9-dimethyl-7-[4-(4-prop-2-enoyloxybutoxycarbonyl)benzoyl]oxyfluoren-2-yl] 1-O-(4-prop-2-enoyloxybutyl) benzene-1,4-dicarboxylate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[2-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-(prop-2-enoyloxymethoxy)benzoate is sourced from PubChem (CID 162080914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).