2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride)

C266H294O60S — CID 158130448

IUPAC2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)OCC(O)COCCOc1ccc(C2(c3ccc(OCCOCC(O)COC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C=C)c(OCCOC(=O)C=C)c3)c3ccccc3-c3ccccc32)cc1OCCOC(=O)C=C.C=CC(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)OCOc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(OCOC(=O)C=C)cc3)CC2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C3(c4ccc(OC(=O)c5ccc(OCOC(=O)C=C)cc5)cc4)CCCCC3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3)cc2)cc1.CC1CCC(C)CC1.Cc1ccc(C)c2c1C1c3ccccc3C2c2ccccc21.[H][3H].[H][3H]
InChIInChI=1S/C45H42O12.C41H42O10.C40H36O10.C35H30O6.C34H26O12S.C28H28O10.C22H18.C8H16.13CH4.2H2/c1-5-41(46)54-25-21-50-37-19-17-31(29-39(37)52-23-27-56-43(48)7-3)45(35-15-11-9-13-33(35)34-14-10-12-16-36(34)45)32-18-20-38(51-22-26-55-42(47)6-2)40(30-32)53-24-28-57-44(49)8-4;1-3-39(44)50-27-31(42)25-46-21-23-48-33-17-13-29(14-18-33)41(37-11-7-5-9-35(37)36-10-6-8-12-38(36)41)30-15-19-34(20-16-30)49-24-22-47-26-32(43)28-51-40(45)4-2;1-3-36(41)47-26-45-32-16-8-28(9-17-32)38(43)49-34-20-12-30(13-21-34)40(24-6-5-7-25-40)31-14-22-35(23-15-31)50-39(44)29-10-18-33(19-11-29)46-27-48-37(42)4-2;1-3-33(36)40-23-21-38-27-17-13-25(14-18-27)35(26-15-19-28(20-16-26)39-22-24-41-34(37)4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)35;1-3-31(35)43-21-41-25-9-5-23(6-10-25)33(37)45-27-13-17-29(18-14-27)47(39,40)30-19-15-28(16-20-30)46-34(38)24-7-11-26(12-8-24)42-22-44-32(36)4-2;1-3-25(29)35-17-33-21-9-5-19(6-10-21)27(31)37-23-13-15-24(16-14-23)38-28(32)20-7-11-22(12-8-20)34-18-36-26(30)4-2;1-13-11-12-14(2)20-19(13)21-15-7-3-5-9-17(15)22(20)18-10-6-4-8-16(18)21;1-7-3-5-8(2)6-4-7;;;;;;;;;;;;;;;/h5-20,29-30H,1-4,21-28H2;3-20,31-32,42-43H,1-2,21-28H2;3-4,8-23H,1-2,5-7,24-27H2;3-20H,1-2,21-24H2;3-20H,1-2,21-22H2;3-12,23-24H,1-2,13-18H2;3-12,21-22H,1-2H3;7-8H,3-6H2,1-2H3;13*1H4;2*1H/i;;;;;;;;;;;;;;;;;;;;;2*1+2
InChIKeyFSSBYNBKOIAGML-NHLMSVECSA-N
MW4487.30 g/mol
LogP51.39
Rot. Bonds94

About 2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride)

2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride) (PubChem CID 158130448) has the molecular formula C266H294O60S and a molecular weight of 4487.30 g/mol. Its IUPAC name is 2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride).

Molecular Properties

Compound Name2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride)
PubChem CID158130448
Molecular FormulaC266H294O60S
Molecular Weight4487.30 g/mol
Exact Mass4483.98
IUPAC Name2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)OCC(O)COCCOc1ccc(C2(c3ccc(OCCOCC(O)COC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C=C)c(OCCOC(=O)C=C)c3)c3ccccc3-c3ccccc32)cc1OCCOC(=O)C=C.C=CC(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)OCOc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(OCOC(=O)C=C)cc3)CC2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C3(c4ccc(OC(=O)c5ccc(OCOC(=O)C=C)cc5)cc4)CCCCC3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3)cc2)cc1.CC1CCC(C)CC1.Cc1ccc(C)c2c1C1c3ccccc3C2c2ccccc21.[H][3H].[H][3H]
InChIInChI=1S/C45H42O12.C41H42O10.C40H36O10.C35H30O6.C34H26O12S.C28H28O10.C22H18.C8H16.13CH4.2H2/c1-5-41(46)54-25-21-50-37-19-17-31(29-39(37)52-23-27-56-43(48)7-3)45(35-15-11-9-13-33(35)34-14-10-12-16-36(34)45)32-18-20-38(51-22-26-55-42(47)6-2)40(30-32)53-24-28-57-44(49)8-4;1-3-39(44)50-27-31(42)25-46-21-23-48-33-17-13-29(14-18-33)41(37-11-7-5-9-35(37)36-10-6-8-12-38(36)41)30-15-19-34(20-16-30)49-24-22-47-26-32(43)28-51-40(45)4-2;1-3-36(41)47-26-45-32-16-8-28(9-17-32)38(43)49-34-20-12-30(13-21-34)40(24-6-5-7-25-40)31-14-22-35(23-15-31)50-39(44)29-10-18-33(19-11-29)46-27-48-37(42)4-2;1-3-33(36)40-23-21-38-27-17-13-25(14-18-27)35(26-15-19-28(20-16-26)39-22-24-41-34(37)4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)35;1-3-31(35)43-21-41-25-9-5-23(6-10-25)33(37)45-27-13-17-29(18-14-27)47(39,40)30-19-15-28(16-20-30)46-34(38)24-7-11-26(12-8-24)42-22-44-32(36)4-2;1-3-25(29)35-17-33-21-9-5-19(6-10-21)27(31)37-23-13-15-24(16-14-23)38-28(32)20-7-11-22(12-8-20)34-18-36-26(30)4-2;1-13-11-12-14(2)20-19(13)21-15-7-3-5-9-17(15)22(20)18-10-6-4-8-16(18)21;1-7-3-5-8(2)6-4-7;;;;;;;;;;;;;;;/h5-20,29-30H,1-4,21-28H2;3-20,31-32,42-43H,1-2,21-28H2;3-4,8-23H,1-2,5-7,24-27H2;3-20H,1-2,21-24H2;3-20H,1-2,21-22H2;3-12,23-24H,1-2,13-18H2;3-12,21-22H,1-2H3;7-8H,3-6H2,1-2H3;13*1H4;2*1H/i;;;;;;;;;;;;;;;;;;;;;2*1+2
InChIKeyFSSBYNBKOIAGML-NHLMSVECSA-N
XLogP51.39
TPSA748.28 Ų
H-Bond Donors2
H-Bond Acceptors60
Rotatable Bonds94
Heavy Atoms327
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004487.30
LogP ≤ 551.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1060

Analyze 2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride) with MolForge

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Related Compounds

2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;[3-[2-[4-[9-[4-[2-[2,3-di(prop-2-enoyloxy)propoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
CID 162097512
(4-methylcyclohexyl) 4-(prop-2-enoyloxymethoxy)benzoate
CID 59366305
2-[2-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 59702760
[2-methyl-3-[2-[4-[9-[4-[2-(2-methyl-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate
CID 59702756
2-[[2-methyl-4-[9-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane;[2-methyl-3-[2-[4-[9-[4-[2-(2-methyl-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;2-[2-[4-[9-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane;2-[2-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 159778826
[(2S)-2-hydroxy-3-[4-[9-[4-[(2S)-2-hydroxy-3-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate
CID 98048093
[4-[4-ethyl-1-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 89417628
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
CID 160842245
[4-[[4'-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenoxy]carbonyloxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyloxy]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate
CID 129257608
[2-methyl-4-[4-(2-prop-2-enoyloxyethoxymethoxy)benzoyl]oxyphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate
CID 137454184
(4-cyclohexyloxycarbonylphenyl) 4-(12-prop-2-enoyloxydodecoxy)benzoate
CID 21461602
2-[4-[7-[4-(2-prop-2-enoyloxyethoxy)phenyl]benzo[a]phenalen-7-yl]phenoxy]ethyl prop-2-enoate
CID 118230473

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride)?
The IUPAC name of 2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride) (CID 158130448) is 2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride).
What is the SMILES notation for 2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride)?
The canonical SMILES for 2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride) is C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)OCC(O)COCCOc1ccc(C2(c3ccc(OCCOCC(O)COC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C=C)c(OCCOC(=O)C=C)c3)c3ccccc3-c3ccccc32)cc1OCCOC(=O)C=C.C=CC(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.C=CC(=O)OCOc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(OCOC(=O)C=C)cc3)CC2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C3(c4ccc(OC(=O)c5ccc(OCOC(=O)C=C)cc5)cc4)CCCCC3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3)cc2)cc1.CC1CCC(C)CC1.Cc1ccc(C)c2c1C1c3ccccc3C2c2ccccc21.[H][3H].[H][3H].
What is the InChIKey of 2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride)?
The InChIKey is FSSBYNBKOIAGML-NHLMSVECSA-N. The full InChI is InChI=1S/C45H42O12.C41H42O10.C40H36O10.C35H30O6.C34H26O12S.C28H28O10.C22H18.C8H16.13CH4.2H2/c1-5-41(46)54-25-21-50-37-19-17-31(29-39(37)52-23-27-56-43(48)7-3)45(35-15-11-9-13-33(35)34-14-10-12-16-36(34)45)32-18-20-38(51-22-26-55-42(47)6-2)40(30-32)53-24-28-57-44(49)8-4;1-3-39(44)50-27-31(42)25-46-21-23-48-33-17-13-29(14-18-33)41(37-11-7-5-9-35(37)36-10-6-8-12-38(36)41)30-15-19-34(20-16-30)49-24-22-47-26-32(43)28-51-40(45)4-2;1-3-36(41)47-26-45-32-16-8-28(9-17-32)38(43)49-34-20-12-30(13-21-34)40(24-6-5-7-25-40)31-14-22-35(23-15-31)50-39(44)29-10-18-33(19-11-29)46-27-48-37(42)4-2;1-3-33(36)40-23-21-38-27-17-13-25(14-18-27)35(26-15-19-28(20-16-26)39-22-24-41-34(37)4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)35;1-3-31(35)43-21-41-25-9-5-23(6-10-25)33(37)45-27-13-17-29(18-14-27)47(39,40)30-19-15-28(16-20-30)46-34(38)24-7-11-26(12-8-24)42-22-44-32(36)4-2;1-3-25(29)35-17-33-21-9-5-19(6-10-21)27(31)37-23-13-15-24(16-14-23)38-28(32)20-7-11-22(12-8-20)34-18-36-26(30)4-2;1-13-11-12-14(2)20-19(13)21-15-7-3-5-9-17(15)22(20)18-10-6-4-8-16(18)21;1-7-3-5-8(2)6-4-7;;;;;;;;;;;;;;;/h5-20,29-30H,1-4,21-28H2;3-20,31-32,42-43H,1-2,21-28H2;3-4,8-23H,1-2,5-7,24-27H2;3-20H,1-2,21-24H2;3-20H,1-2,21-22H2;3-12,23-24H,1-2,13-18H2;3-12,21-22H,1-2H3;7-8H,3-6H2,1-2H3;13*1H4;2*1H/i;;;;;;;;;;;;;;;;;;;;;2*1+2.
What are the key properties of 2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride)?
2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride) has a molecular weight of 4487.30 g/mol, XLogP of 51.39, 94 rotatable bonds, 2 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;1,4-dimethylcyclohexane;3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;methane;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]cyclohexyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(tritium monohydride) is sourced from PubChem (CID 158130448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).