[7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one

C201H212F8O36S8 — CID 159317112

IUPAC[7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one
SMILESC=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)COC(COc1ccc2cc(-c3ccccc3OC)c(=O)sc2c1)COc1ccc2cc(-c3ccccc3OC)c(=O)sc2c1.C=C(C)C(=O)OCC(O)CC(O)COC(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)c(=O)sc2c1)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)c(=O)sc2c1.C=CC(=O)OCCCC(F)(F)CCCOC(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)c(=O)sc2c1)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)c(=O)sc2c1.C=COCC(O)COC(COc1ccc2cc(-c3ccc(CCCCC)cc3)c(=O)sc2c1)COc1ccc2cc(-c3ccc(CCCCC)cc3)c(=O)sc2c1
InChIInChI=1S/C55H62F2O9S2.C54H62O11S2.C48H52O7S2.C44H36F6O9S2/c1-6-9-11-15-37-17-23-44(48(29-37)61-4)46-31-39-19-21-41(33-50(39)67-53(46)59)65-35-43(63-27-13-25-55(56,57)26-14-28-64-52(58)8-3)36-66-42-22-20-40-32-47(54(60)68-51(40)34-42)45-24-18-38(16-12-10-7-2)30-49(45)62-5;1-7-9-11-13-35-15-21-44(48(23-35)60-5)46-25-37-17-19-41(28-50(37)66-53(46)58)63-32-43(62-30-39(55)27-40(56)31-65-52(57)34(3)4)33-64-42-20-18-38-26-47(54(59)67-51(38)29-42)45-22-16-36(14-12-10-8-2)24-49(45)61-6;1-4-7-9-11-33-13-17-35(18-14-33)43-25-37-21-23-40(27-45(37)56-47(43)50)54-31-42(53-30-39(49)29-52-6-3)32-55-41-24-22-38-26-44(48(51)57-46(38)28-41)36-19-15-34(16-20-36)12-10-8-5-2;1-25(2)39(51)59-24-43(47,48)44(49,50)42(45,46)23-58-30(21-56-28-15-13-26-17-33(40(52)60-37(26)19-28)31-9-5-7-11-35(31)54-3)22-57-29-16-14-27-18-34(41(53)61-38(27)20-29)32-10-6-8-12-36(32)55-4/h8,17-24,29-34,43H,3,6-7,9-16,25-28,35-36H2,1-2,4-5H3;15-26,28-29,39-40,43,55-56H,3,7-14,27,30-33H2,1-2,4-6H3;6,13-28,39,42,49H,3-5,7-12,29-32H2,1-2H3;5-20,30H,1,21-24H2,2-4H3
InChIKeyLDGWQHJHELHKPS-UHFFFAOYSA-N
MW3612.39 g/mol
LogP45.20
Rot. Bonds94

About [7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one

[7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one (PubChem CID 159317112) has the molecular formula C201H212F8O36S8 and a molecular weight of 3612.39 g/mol. Its IUPAC name is [7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one.

Molecular Properties

Compound Name[7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one
PubChem CID159317112
Molecular FormulaC201H212F8O36S8
Molecular Weight3612.39 g/mol
Exact Mass3609.24
IUPAC Name[7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one
SMILESC=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)COC(COc1ccc2cc(-c3ccccc3OC)c(=O)sc2c1)COc1ccc2cc(-c3ccccc3OC)c(=O)sc2c1.C=C(C)C(=O)OCC(O)CC(O)COC(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)c(=O)sc2c1)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)c(=O)sc2c1.C=CC(=O)OCCCC(F)(F)CCCOC(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)c(=O)sc2c1)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)c(=O)sc2c1.C=COCC(O)COC(COc1ccc2cc(-c3ccc(CCCCC)cc3)c(=O)sc2c1)COc1ccc2cc(-c3ccc(CCCCC)cc3)c(=O)sc2c1
InChIInChI=1S/C55H62F2O9S2.C54H62O11S2.C48H52O7S2.C44H36F6O9S2/c1-6-9-11-15-37-17-23-44(48(29-37)61-4)46-31-39-19-21-41(33-50(39)67-53(46)59)65-35-43(63-27-13-25-55(56,57)26-14-28-64-52(58)8-3)36-66-42-22-20-40-32-47(54(60)68-51(40)34-42)45-24-18-38(16-12-10-7-2)30-49(45)62-5;1-7-9-11-13-35-15-21-44(48(23-35)60-5)46-25-37-17-19-41(28-50(37)66-53(46)58)63-32-43(62-30-39(55)27-40(56)31-65-52(57)34(3)4)33-64-42-20-18-38-26-47(54(59)67-51(38)29-42)45-22-16-36(14-12-10-8-2)24-49(45)61-6;1-4-7-9-11-33-13-17-35(18-14-33)43-25-37-21-23-40(27-45(37)56-47(43)50)54-31-42(53-30-39(49)29-52-6-3)32-55-41-24-22-38-26-44(48(51)57-46(38)28-41)36-19-15-34(16-20-36)12-10-8-5-2;1-25(2)39(51)59-24-43(47,48)44(49,50)42(45,46)23-58-30(21-56-28-15-13-26-17-33(40(52)60-37(26)19-28)31-9-5-7-11-35(31)54-3)22-57-29-16-14-27-18-34(41(53)61-38(27)20-29)32-10-6-8-12-36(32)55-4/h8,17-24,29-34,43H,3,6-7,9-16,25-28,35-36H2,1-2,4-5H3;15-26,28-29,39-40,43,55-56H,3,7-14,27,30-33H2,1-2,4-6H3;6,13-28,39,42,49H,3-5,7-12,29-32H2,1-2H3;5-20,30H,1,21-24H2,2-4H3
InChIKeyLDGWQHJHELHKPS-UHFFFAOYSA-N
XLogP45.20
TPSA451.52 Ų
H-Bond Donors3
H-Bond Acceptors44
Rotatable Bonds94
Heavy Atoms253
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003612.39
LogP ≤ 545.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one with MolForge

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Related Compounds

[4,4-difluoro-7-[1-[[2-hydroxy-3-(2-methoxy-4-methylphenyl)-2H-thiochromen-7-yl]oxy]-3-[3-(2-methoxy-4-methylphenyl)-2-oxothiochromen-7-yl]oxypropan-2-yl]oxyheptyl] prop-2-enoate
CID 146412006
[5-[1,3-Bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate
CID 146412007
[7-[1,7-Bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]heptan-4-yloxy]-4,4-difluoroheptyl] prop-2-enoate
CID 153454732
[7-[1,3-Bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate
CID 153454738
[7-[1,5-Bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]pentan-3-yloxy]-4,4-difluoroheptyl] prop-2-enoate
CID 153454747
[5-[1,5-Bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]pentan-3-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate
CID 153454758
[5-[1,7-Bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]heptan-4-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate
CID 153454857
[7-[1,7-Bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]heptan-4-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,7-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]heptan-4-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;7-[4-(3-ethenoxy-2-hydroxypropoxy)-7-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxyheptoxy]-3-(4-pentylphenyl)thiochromen-2-one
CID 157302529
[3-[[3-[1,5-Bis[[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy]pentan-3-yloxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;1,5-bis[[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]pentan-3-yloxymethyl prop-2-enoate;[5-[1,5-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]pentan-3-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;7-[3-(3-ethenoxy-2-hydroxypropoxy)-5-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypentoxy]-3-(4-pentylphenyl)thiochromen-2-one
CID 157887986
CID 158612864
CID 158612864
[3-(2,4-Diethylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-[2-ethyl-4-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]methyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate
CID 159626835
[3-(2,4-Diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate
CID 159977608

Frequently Asked Questions

What is the IUPAC name of [7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one?
The IUPAC name of [7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one (CID 159317112) is [7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one.
What is the SMILES notation for [7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one?
The canonical SMILES for [7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one is C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)COC(COc1ccc2cc(-c3ccccc3OC)c(=O)sc2c1)COc1ccc2cc(-c3ccccc3OC)c(=O)sc2c1.C=C(C)C(=O)OCC(O)CC(O)COC(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)c(=O)sc2c1)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)c(=O)sc2c1.C=CC(=O)OCCCC(F)(F)CCCOC(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)c(=O)sc2c1)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)c(=O)sc2c1.C=COCC(O)COC(COc1ccc2cc(-c3ccc(CCCCC)cc3)c(=O)sc2c1)COc1ccc2cc(-c3ccc(CCCCC)cc3)c(=O)sc2c1.
What is the InChIKey of [7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one?
The InChIKey is LDGWQHJHELHKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H62F2O9S2.C54H62O11S2.C48H52O7S2.C44H36F6O9S2/c1-6-9-11-15-37-17-23-44(48(29-37)61-4)46-31-39-19-21-41(33-50(39)67-53(46)59)65-35-43(63-27-13-25-55(56,57)26-14-28-64-52(58)8-3)36-66-42-22-20-40-32-47(54(60)68-51(40)34-42)45-24-18-38(16-12-10-7-2)30-49(45)62-5;1-7-9-11-13-35-15-21-44(48(23-35)60-5)46-25-37-17-19-41(28-50(37)66-53(46)58)63-32-43(62-30-39(55)27-40(56)31-65-52(57)34(3)4)33-64-42-20-18-38-26-47(54(59)67-51(38)29-42)45-22-16-36(14-12-10-8-2)24-49(45)61-6;1-4-7-9-11-33-13-17-35(18-14-33)43-25-37-21-23-40(27-45(37)56-47(43)50)54-31-42(53-30-39(49)29-52-6-3)32-55-41-24-22-38-26-44(48(51)57-46(38)28-41)36-19-15-34(16-20-36)12-10-8-5-2;1-25(2)39(51)59-24-43(47,48)44(49,50)42(45,46)23-58-30(21-56-28-15-13-26-17-33(40(52)60-37(26)19-28)31-9-5-7-11-35(31)54-3)22-57-29-16-14-27-18-34(41(53)61-38(27)20-29)32-10-6-8-12-36(32)55-4/h8,17-24,29-34,43H,3,6-7,9-16,25-28,35-36H2,1-2,4-5H3;15-26,28-29,39-40,43,55-56H,3,7-14,27,30-33H2,1-2,4-6H3;6,13-28,39,42,49H,3-5,7-12,29-32H2,1-2H3;5-20,30H,1,21-24H2,2-4H3.
What are the key properties of [7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one?
[7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one has a molecular weight of 3612.39 g/mol, XLogP of 45.20, 94 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate;[5-[1,3-bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,4-dihydroxypentyl] 2-methylprop-2-enoate;[5-[1,3-bis[[3-(2-methoxyphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate;7-[2-(3-ethenoxy-2-hydroxypropoxy)-3-[2-oxo-3-(4-pentylphenyl)thiochromen-7-yl]oxypropoxy]-3-(4-pentylphenyl)thiochromen-2-one is sourced from PubChem (CID 159317112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).