4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine

C162H138F4N14O9S — CID 165084612

IUPAC4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
SMILESCCc1ccc(Oc2ccc(-c3ccccc3)cc2)c(F)c1.CCc1ccc(Oc2ccc(-c3ccccc3)cc2)nc1.CCc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)cc1.Cc1ccccc1-c1ccc(Oc2ccc(N)cc2)cc1C.Nc1ccc(Oc2ccc(-c3ccc(F)cc3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccccc3)nc2)nc1.Nc1ccc(Oc2ccc(-c3ccccn3)cc2)c(F)c1.Nc1ccc(Oc2ccc(-c3cccnc3)cc2)c(F)c1.Nc1ccc(Oc2ccc(-c3cncs3)cc2)nc1
InChIInChI=1S/C22H22O.C20H17FO.C20H19NO.C19H17NO.3C17H13FN2O.C16H13N3O.C14H11N3OS/c1-4-18-9-11-19(12-10-18)23-20-13-14-22(17(3)15-20)21-8-6-5-7-16(21)2;1-2-15-8-13-20(19(21)14-15)22-18-11-9-17(10-12-18)16-6-4-3-5-7-16;1-14-5-3-4-6-19(14)20-12-11-18(13-15(20)2)22-17-9-7-16(21)8-10-17;1-2-15-8-13-19(20-14-15)21-18-11-9-17(10-12-18)16-6-4-3-5-7-16;18-14-5-1-12(2-6-14)13-3-8-16(9-4-13)21-17-10-7-15(19)11-20-17;18-16-10-14(19)5-8-17(16)21-15-6-3-12(4-7-15)13-2-1-9-20-11-13;18-15-11-13(19)6-9-17(15)21-14-7-4-12(5-8-14)16-3-1-2-10-20-16;17-13-6-9-16(19-10-13)20-14-7-8-15(18-11-14)12-4-2-1-3-5-12;15-11-3-6-14(17-7-11)18-12-4-1-10(2-5-12)13-8-16-9-19-13/h5-15H,4H2,1-3H3;3-14H,2H2,1H3;3-13H,21H2,1-2H3;3-14H,2H2,1H3;3*1-11H,19H2;1-11H,17H2;1-9H,15H2
InChIKeyVRHRMHGRKKAKRU-UHFFFAOYSA-N
MW2533.03 g/mol
LogP42.51
Rot. Bonds30

About 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine

4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine (PubChem CID 165084612) has the molecular formula C162H138F4N14O9S and a molecular weight of 2533.03 g/mol. Its IUPAC name is 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
PubChem CID165084612
Molecular FormulaC162H138F4N14O9S
Molecular Weight2533.03 g/mol
Exact Mass2531.04
IUPAC Name4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
SMILESCCc1ccc(Oc2ccc(-c3ccccc3)cc2)c(F)c1.CCc1ccc(Oc2ccc(-c3ccccc3)cc2)nc1.CCc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)cc1.Cc1ccccc1-c1ccc(Oc2ccc(N)cc2)cc1C.Nc1ccc(Oc2ccc(-c3ccc(F)cc3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccccc3)nc2)nc1.Nc1ccc(Oc2ccc(-c3ccccn3)cc2)c(F)c1.Nc1ccc(Oc2ccc(-c3cccnc3)cc2)c(F)c1.Nc1ccc(Oc2ccc(-c3cncs3)cc2)nc1
InChIInChI=1S/C22H22O.C20H17FO.C20H19NO.C19H17NO.3C17H13FN2O.C16H13N3O.C14H11N3OS/c1-4-18-9-11-19(12-10-18)23-20-13-14-22(17(3)15-20)21-8-6-5-7-16(21)2;1-2-15-8-13-20(19(21)14-15)22-18-11-9-17(10-12-18)16-6-4-3-5-7-16;1-14-5-3-4-6-19(14)20-12-11-18(13-15(20)2)22-17-9-7-16(21)8-10-17;1-2-15-8-13-19(20-14-15)21-18-11-9-17(10-12-18)16-6-4-3-5-7-16;18-14-5-1-12(2-6-14)13-3-8-16(9-4-13)21-17-10-7-15(19)11-20-17;18-16-10-14(19)5-8-17(16)21-15-6-3-12(4-7-15)13-2-1-9-20-11-13;18-15-11-13(19)6-9-17(15)21-14-7-4-12(5-8-14)16-3-1-2-10-20-16;17-13-6-9-16(19-10-13)20-14-7-8-15(18-11-14)12-4-2-1-3-5-12;15-11-3-6-14(17-7-11)18-12-4-1-10(2-5-12)13-8-16-9-19-13/h5-15H,4H2,1-3H3;3-14H,2H2,1H3;3-13H,21H2,1-2H3;3-14H,2H2,1H3;3*1-11H,19H2;1-11H,17H2;1-9H,15H2
InChIKeyVRHRMHGRKKAKRU-UHFFFAOYSA-N
XLogP42.51
TPSA342.31 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002533.03
LogP ≤ 542.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?
The IUPAC name of 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine (CID 165084612) is 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine.
What is the SMILES notation for 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?
The canonical SMILES for 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine is CCc1ccc(Oc2ccc(-c3ccccc3)cc2)c(F)c1.CCc1ccc(Oc2ccc(-c3ccccc3)cc2)nc1.CCc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)cc1.Cc1ccccc1-c1ccc(Oc2ccc(N)cc2)cc1C.Nc1ccc(Oc2ccc(-c3ccc(F)cc3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccccc3)nc2)nc1.Nc1ccc(Oc2ccc(-c3ccccn3)cc2)c(F)c1.Nc1ccc(Oc2ccc(-c3cccnc3)cc2)c(F)c1.Nc1ccc(Oc2ccc(-c3cncs3)cc2)nc1.
What is the InChIKey of 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?
The InChIKey is VRHRMHGRKKAKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O.C20H17FO.C20H19NO.C19H17NO.3C17H13FN2O.C16H13N3O.C14H11N3OS/c1-4-18-9-11-19(12-10-18)23-20-13-14-22(17(3)15-20)21-8-6-5-7-16(21)2;1-2-15-8-13-20(19(21)14-15)22-18-11-9-17(10-12-18)16-6-4-3-5-7-16;1-14-5-3-4-6-19(14)20-12-11-18(13-15(20)2)22-17-9-7-16(21)8-10-17;1-2-15-8-13-19(20-14-15)21-18-11-9-17(10-12-18)16-6-4-3-5-7-16;18-14-5-1-12(2-6-14)13-3-8-16(9-4-13)21-17-10-7-15(19)11-20-17;18-16-10-14(19)5-8-17(16)21-15-6-3-12(4-7-15)13-2-1-9-20-11-13;18-15-11-13(19)6-9-17(15)21-14-7-4-12(5-8-14)16-3-1-2-10-20-16;17-13-6-9-16(19-10-13)20-14-7-8-15(18-11-14)12-4-2-1-3-5-12;15-11-3-6-14(17-7-11)18-12-4-1-10(2-5-12)13-8-16-9-19-13/h5-15H,4H2,1-3H3;3-14H,2H2,1H3;3-13H,21H2,1-2H3;3-14H,2H2,1H3;3*1-11H,19H2;1-11H,17H2;1-9H,15H2.
What are the key properties of 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?
4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine has a molecular weight of 2533.03 g/mol, XLogP of 42.51, 30 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 165084612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).