3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole

C169H144F5N13O7S — CID 165107591

IUPAC3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole
SMILESCc1nc(Oc2ccc(-c3ccccc3)cc2)ccc1CCc1cccnc1.Fc1cc(CCc2cccnc2)ccc1Oc1ccc(-c2ccccn2)cc1.Fc1cc(CCc2cccnc2)ccc1Oc1ccc(-c2cccnc2)cc1.Fc1cc(CCc2cccnc2)ccc1Oc1ccc(C2CCCCC2)cc1.Fc1ccc(-c2ccc(Oc3ccc(CCc4cccnc4)cn3)cc2)cc1.OC(c1ccc(CCc2cccnc2)cc1)c1ccc(-c2ccc(F)cc2)cc1.c1cncc(CCc2ccc(Oc3ccc(-c4cncs4)cc3)nc2)c1
InChIInChI=1S/C26H22FNO.C25H26FNO.C25H22N2O.3C24H19FN2O.C21H17N3OS/c27-25-15-13-22(14-16-25)21-9-11-24(12-10-21)26(29)23-7-5-19(6-8-23)3-4-20-2-1-17-28-18-20;26-24-17-19(8-9-20-5-4-16-27-18-20)10-15-25(24)28-23-13-11-22(12-14-23)21-6-2-1-3-7-21;1-19-21(10-9-20-6-5-17-26-18-20)13-16-25(27-19)28-24-14-11-23(12-15-24)22-7-3-2-4-8-22;25-23-15-18(5-6-19-3-1-13-26-16-19)7-12-24(23)28-22-10-8-20(9-11-22)21-4-2-14-27-17-21;25-22-10-6-20(7-11-22)21-8-12-23(13-9-21)28-24-14-5-19(17-27-24)4-3-18-2-1-15-26-16-18;25-22-16-18(6-7-19-4-3-14-26-17-19)8-13-24(22)28-21-11-9-20(10-12-21)23-5-1-2-15-27-23;1-2-16(12-22-11-1)3-4-17-5-10-21(24-13-17)25-19-8-6-18(7-9-19)20-14-23-15-26-20/h1-2,5-18,26,29H,3-4H2;4-5,10-18,21H,1-3,6-9H2;2-8,11-18H,9-10H2,1H3;1-4,7-17H,5-6H2;1-2,5-17H,3-4H2;1-5,8-17H,6-7H2;1-2,5-15H,3-4H2
InChIKeyZKDAIJZHVJFPNB-UHFFFAOYSA-N
MW2596.15 g/mol
LogP41.39
Rot. Bonds42

About 3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole

3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole (PubChem CID 165107591) has the molecular formula C169H144F5N13O7S and a molecular weight of 2596.15 g/mol. Its IUPAC name is 3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole
PubChem CID165107591
Molecular FormulaC169H144F5N13O7S
Molecular Weight2596.15 g/mol
Exact Mass2594.10
IUPAC Name3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole
SMILESCc1nc(Oc2ccc(-c3ccccc3)cc2)ccc1CCc1cccnc1.Fc1cc(CCc2cccnc2)ccc1Oc1ccc(-c2ccccn2)cc1.Fc1cc(CCc2cccnc2)ccc1Oc1ccc(-c2cccnc2)cc1.Fc1cc(CCc2cccnc2)ccc1Oc1ccc(C2CCCCC2)cc1.Fc1ccc(-c2ccc(Oc3ccc(CCc4cccnc4)cn3)cc2)cc1.OC(c1ccc(CCc2cccnc2)cc1)c1ccc(-c2ccc(F)cc2)cc1.c1cncc(CCc2ccc(Oc3ccc(-c4cncs4)cc3)nc2)c1
InChIInChI=1S/C26H22FNO.C25H26FNO.C25H22N2O.3C24H19FN2O.C21H17N3OS/c27-25-15-13-22(14-16-25)21-9-11-24(12-10-21)26(29)23-7-5-19(6-8-23)3-4-20-2-1-17-28-18-20;26-24-17-19(8-9-20-5-4-16-27-18-20)10-15-25(24)28-23-13-11-22(12-14-23)21-6-2-1-3-7-21;1-19-21(10-9-20-6-5-17-26-18-20)13-16-25(27-19)28-24-14-11-23(12-15-24)22-7-3-2-4-8-22;25-23-15-18(5-6-19-3-1-13-26-16-19)7-12-24(23)28-22-10-8-20(9-11-22)21-4-2-14-27-17-21;25-22-10-6-20(7-11-22)21-8-12-23(13-9-21)28-24-14-5-19(17-27-24)4-3-18-2-1-15-26-16-18;25-22-16-18(6-7-19-4-3-14-26-17-19)8-13-24(22)28-21-11-9-20(10-12-21)23-5-1-2-15-27-23;1-2-16(12-22-11-1)3-4-17-5-10-21(24-13-17)25-19-8-6-18(7-9-19)20-14-23-15-26-20/h1-2,5-18,26,29H,3-4H2;4-5,10-18,21H,1-3,6-9H2;2-8,11-18H,9-10H2,1H3;1-4,7-17H,5-6H2;1-2,5-17H,3-4H2;1-5,8-17H,6-7H2;1-2,5-15H,3-4H2
InChIKeyZKDAIJZHVJFPNB-UHFFFAOYSA-N
XLogP41.39
TPSA243.18 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds42
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002596.15
LogP ≤ 541.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole with MolForge

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Related Compounds

1-Tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;1-tert-butyl-3-ethoxybenzene;2-tert-butyl-4-ethoxypyridine;2-tert-butyl-4-methylpyridine;bis(1-tert-butyl-3-propan-2-ylbenzene);1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;1-ethyl-3-propan-2-ylbenzene;methane
CID 158563667
2-(Difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 159859150
1-Tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;1-tert-butyl-3-ethoxybenzene;2-tert-butyl-4-ethoxypyridine;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-(1,1-difluoroethoxy)-3-propan-2-ylbenzene;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;methane
CID 160030921
1-(1,1-Difluoroethoxy)-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;2-(1,1,2,2,2-pentafluoroethoxy)-5-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethoxy)pyridine;3-propan-2-yl-6-(trifluoromethylsulfanyl)pyridazine;5-propan-2-yl-2-(trifluoromethylsulfanyl)pyridine
CID 160820443
1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167579794
1-[Benzyl(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167616722
1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167669487
1-Fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide
CID 157067225
4-Tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine
CID 157224629
CID 158186342
CID 158186342
4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol
CID 160741034
4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine
CID 161142597

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole?
The IUPAC name of 3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole (CID 165107591) is 3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole.
What is the SMILES notation for 3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole?
The canonical SMILES for 3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole is Cc1nc(Oc2ccc(-c3ccccc3)cc2)ccc1CCc1cccnc1.Fc1cc(CCc2cccnc2)ccc1Oc1ccc(-c2ccccn2)cc1.Fc1cc(CCc2cccnc2)ccc1Oc1ccc(-c2cccnc2)cc1.Fc1cc(CCc2cccnc2)ccc1Oc1ccc(C2CCCCC2)cc1.Fc1ccc(-c2ccc(Oc3ccc(CCc4cccnc4)cn3)cc2)cc1.OC(c1ccc(CCc2cccnc2)cc1)c1ccc(-c2ccc(F)cc2)cc1.c1cncc(CCc2ccc(Oc3ccc(-c4cncs4)cc3)nc2)c1.
What is the InChIKey of 3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole?
The InChIKey is ZKDAIJZHVJFPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FNO.C25H26FNO.C25H22N2O.3C24H19FN2O.C21H17N3OS/c27-25-15-13-22(14-16-25)21-9-11-24(12-10-21)26(29)23-7-5-19(6-8-23)3-4-20-2-1-17-28-18-20;26-24-17-19(8-9-20-5-4-16-27-18-20)10-15-25(24)28-23-13-11-22(12-14-23)21-6-2-1-3-7-21;1-19-21(10-9-20-6-5-17-26-18-20)13-16-25(27-19)28-24-14-11-23(12-15-24)22-7-3-2-4-8-22;25-23-15-18(5-6-19-3-1-13-26-16-19)7-12-24(23)28-22-10-8-20(9-11-22)21-4-2-14-27-17-21;25-22-10-6-20(7-11-22)21-8-12-23(13-9-21)28-24-14-5-19(17-27-24)4-3-18-2-1-15-26-16-18;25-22-16-18(6-7-19-4-3-14-26-17-19)8-13-24(22)28-21-11-9-20(10-12-21)23-5-1-2-15-27-23;1-2-16(12-22-11-1)3-4-17-5-10-21(24-13-17)25-19-8-6-18(7-9-19)20-14-23-15-26-20/h1-2,5-18,26,29H,3-4H2;4-5,10-18,21H,1-3,6-9H2;2-8,11-18H,9-10H2,1H3;1-4,7-17H,5-6H2;1-2,5-17H,3-4H2;1-5,8-17H,6-7H2;1-2,5-15H,3-4H2.
What are the key properties of 3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole?
3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole has a molecular weight of 2596.15 g/mol, XLogP of 41.39, 42 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole is sourced from PubChem (CID 165107591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).