4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium

C249H227FN9O9+9 — CID 159162171

IUPAC4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium
SMILESCc1ccc(-c2cc[n+](C)c(-c3c(C)ccc4c3oc3ccccc34)c2)cc1.Cc1cccc(-c2ccc(-c3c(C)ccc4c3oc3ccccc34)[n+](C)c2)c1.[2H]C([2H])([2H])C([2H])(C)Cc1cc(-c2cc[n+](C)c(-c3c(C)ccc4c3oc3ccccc34)c2)ccc1F.[2H]C([2H])([2H])C([2H])(C)Cc1ccc(-c2cc[n+](C)c(-c3c(C)ccc4c3oc3ccccc34)c2)cc1.[2H]C([2H])([2H])C([2H])(C)Cc1ccc(-c2ccc(-c3c(C)ccc4c3oc3ccccc34)[n+](C)c2)cc1.[2H]C([2H])([2H])C([2H])(C)c1ccc(-c2cc[n+](C)c(-c3c(C)ccc4c3oc3ccccc34)c2)cc1.[2H]C([2H])([2H])C([2H])(C)c1ccc(-c2ccc(-c3c(C)ccc4c3oc3ccccc34)[n+](C)c2)cc1.[2H]C([2H])([2H])C([2H])(C)c1cccc(-c2ccc(-c3c(C)ccc4c3oc3ccccc34)[n+](C)c2)c1.[2H]C([2H])([2H])c1ccc(-c2ccc(-c3c(C)ccc4c3oc3ccccc34)[n+](C)c2)cc1
InChIInChI=1S/C29H27FNO.2C29H28NO.3C28H26NO.3C26H22NO/c1-18(2)15-22-16-20(10-12-25(22)30)21-13-14-31(4)26(17-21)28-19(3)9-11-24-23-7-5-6-8-27(23)32-29(24)28;1-19(2)17-21-10-12-22(13-11-21)23-14-16-26(30(4)18-23)28-20(3)9-15-25-24-7-5-6-8-27(24)31-29(25)28;1-19(2)17-21-10-12-22(13-11-21)23-15-16-30(4)26(18-23)28-20(3)9-14-25-24-7-5-6-8-27(24)31-29(25)28;1-18(2)20-8-7-9-21(16-20)22-13-15-25(29(4)17-22)27-19(3)12-14-24-23-10-5-6-11-26(23)30-28(24)27;1-18(2)20-10-12-21(13-11-20)22-14-16-25(29(4)17-22)27-19(3)9-15-24-23-7-5-6-8-26(23)30-28(24)27;1-18(2)20-10-12-21(13-11-20)22-15-16-29(4)25(17-22)27-19(3)9-14-24-23-7-5-6-8-26(23)30-28(24)27;1-17-7-6-8-19(15-17)20-12-14-23(27(3)16-20)25-18(2)11-13-22-21-9-4-5-10-24(21)28-26(22)25;1-17-8-11-19(12-9-17)20-13-15-23(27(3)16-20)25-18(2)10-14-22-21-6-4-5-7-24(21)28-26(22)25;1-17-8-11-19(12-9-17)20-14-15-27(3)23(16-20)25-18(2)10-13-22-21-6-4-5-7-24(21)28-26(22)25/h5-14,16-18H,15H2,1-4H3;2*5-16,18-19H,17H2,1-4H3;3*5-18H,1-4H3;3*4-16H,1-3H3/q9*+1/i1D3,18D;2*1D3,19D;3*1D3,18D;;1D3;
InChIKeyPQLADCAIIQERDH-JKLPOVMNSA-N
MW3535.77 g/mol
LogP62.51
Rot. Bonds34

About 4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium

4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium (PubChem CID 159162171) has the molecular formula C249H227FN9O9+9 and a molecular weight of 3535.77 g/mol. Its IUPAC name is 4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium.

Molecular Properties

Compound Name4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium
PubChem CID159162171
Molecular FormulaC249H227FN9O9+9
Molecular Weight3535.77 g/mol
Exact Mass3532.92
IUPAC Name4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium
SMILESCc1ccc(-c2cc[n+](C)c(-c3c(C)ccc4c3oc3ccccc34)c2)cc1.Cc1cccc(-c2ccc(-c3c(C)ccc4c3oc3ccccc34)[n+](C)c2)c1.[2H]C([2H])([2H])C([2H])(C)Cc1cc(-c2cc[n+](C)c(-c3c(C)ccc4c3oc3ccccc34)c2)ccc1F.[2H]C([2H])([2H])C([2H])(C)Cc1ccc(-c2cc[n+](C)c(-c3c(C)ccc4c3oc3ccccc34)c2)cc1.[2H]C([2H])([2H])C([2H])(C)Cc1ccc(-c2ccc(-c3c(C)ccc4c3oc3ccccc34)[n+](C)c2)cc1.[2H]C([2H])([2H])C([2H])(C)c1ccc(-c2cc[n+](C)c(-c3c(C)ccc4c3oc3ccccc34)c2)cc1.[2H]C([2H])([2H])C([2H])(C)c1ccc(-c2ccc(-c3c(C)ccc4c3oc3ccccc34)[n+](C)c2)cc1.[2H]C([2H])([2H])C([2H])(C)c1cccc(-c2ccc(-c3c(C)ccc4c3oc3ccccc34)[n+](C)c2)c1.[2H]C([2H])([2H])c1ccc(-c2ccc(-c3c(C)ccc4c3oc3ccccc34)[n+](C)c2)cc1
InChIInChI=1S/C29H27FNO.2C29H28NO.3C28H26NO.3C26H22NO/c1-18(2)15-22-16-20(10-12-25(22)30)21-13-14-31(4)26(17-21)28-19(3)9-11-24-23-7-5-6-8-27(23)32-29(24)28;1-19(2)17-21-10-12-22(13-11-21)23-14-16-26(30(4)18-23)28-20(3)9-15-25-24-7-5-6-8-27(24)31-29(25)28;1-19(2)17-21-10-12-22(13-11-21)23-15-16-30(4)26(18-23)28-20(3)9-14-25-24-7-5-6-8-27(24)31-29(25)28;1-18(2)20-8-7-9-21(16-20)22-13-15-25(29(4)17-22)27-19(3)12-14-24-23-10-5-6-11-26(23)30-28(24)27;1-18(2)20-10-12-21(13-11-20)22-14-16-25(29(4)17-22)27-19(3)9-15-24-23-7-5-6-8-26(23)30-28(24)27;1-18(2)20-10-12-21(13-11-20)22-15-16-29(4)25(17-22)27-19(3)9-14-24-23-7-5-6-8-26(23)30-28(24)27;1-17-7-6-8-19(15-17)20-12-14-23(27(3)16-20)25-18(2)11-13-22-21-9-4-5-10-24(21)28-26(22)25;1-17-8-11-19(12-9-17)20-13-15-23(27(3)16-20)25-18(2)10-14-22-21-6-4-5-7-24(21)28-26(22)25;1-17-8-11-19(12-9-17)20-14-15-27(3)23(16-20)25-18(2)10-13-22-21-6-4-5-7-24(21)28-26(22)25/h5-14,16-18H,15H2,1-4H3;2*5-16,18-19H,17H2,1-4H3;3*5-18H,1-4H3;3*4-16H,1-3H3/q9*+1/i1D3,18D;2*1D3,19D;3*1D3,18D;;1D3;
InChIKeyPQLADCAIIQERDH-JKLPOVMNSA-N
XLogP62.51
TPSA153.18 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds34
Heavy Atoms268
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003535.77
LogP ≤ 562.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium with MolForge

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Related Compounds

8-[4-[4-fluoro-3-(2-methylpropyl)phenyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-5-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 161091571
4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 166512644
1-methyl-2-(3-methyldibenzofuran-4-yl)-4-phenylpyridin-1-ium
CID 123854314
7-methyl-8-[1-methyl-4-(4-methylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-[4-(2-methylpropyl)phenyl]pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(4-phenylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 160576700
4-[4-(2-deuteriopropan-2-yl)phenyl]-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium
CID 166044202
8-[4-[4-fluoro-3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 157449946
1-methyl-2-(7-methyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)-5-(trideuteriomethyl)pyridin-1-ium
CID 153418212
2-[7-fluoro-3-methyl-6-[3-(4-propan-2-ylphenyl)phenyl]dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849664
2,7-dimethyl-8-[1-methyl-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 158937165
4-[4-fluoro-2,6-di(propan-2-yl)phenyl]-1-methyl-2-(3-methyl-7-phenyldibenzofuran-4-yl)pyridin-1-ium
CID 171723976
2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-7-methyl-8-[1-methyl-4-[3-(2-methylpropyl)phenyl]pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 158008138
2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1,4-dimethylpyridin-1-ium
CID 164849884

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium?
The IUPAC name of 4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium (CID 159162171) is 4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium.
What is the SMILES notation for 4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium?
The canonical SMILES for 4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium is Cc1ccc(-c2cc[n+](C)c(-c3c(C)ccc4c3oc3ccccc34)c2)cc1.Cc1cccc(-c2ccc(-c3c(C)ccc4c3oc3ccccc34)[n+](C)c2)c1.[2H]C([2H])([2H])C([2H])(C)Cc1cc(-c2cc[n+](C)c(-c3c(C)ccc4c3oc3ccccc34)c2)ccc1F.[2H]C([2H])([2H])C([2H])(C)Cc1ccc(-c2cc[n+](C)c(-c3c(C)ccc4c3oc3ccccc34)c2)cc1.[2H]C([2H])([2H])C([2H])(C)Cc1ccc(-c2ccc(-c3c(C)ccc4c3oc3ccccc34)[n+](C)c2)cc1.[2H]C([2H])([2H])C([2H])(C)c1ccc(-c2cc[n+](C)c(-c3c(C)ccc4c3oc3ccccc34)c2)cc1.[2H]C([2H])([2H])C([2H])(C)c1ccc(-c2ccc(-c3c(C)ccc4c3oc3ccccc34)[n+](C)c2)cc1.[2H]C([2H])([2H])C([2H])(C)c1cccc(-c2ccc(-c3c(C)ccc4c3oc3ccccc34)[n+](C)c2)c1.[2H]C([2H])([2H])c1ccc(-c2ccc(-c3c(C)ccc4c3oc3ccccc34)[n+](C)c2)cc1.
What is the InChIKey of 4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium?
The InChIKey is PQLADCAIIQERDH-JKLPOVMNSA-N. The full InChI is InChI=1S/C29H27FNO.2C29H28NO.3C28H26NO.3C26H22NO/c1-18(2)15-22-16-20(10-12-25(22)30)21-13-14-31(4)26(17-21)28-19(3)9-11-24-23-7-5-6-8-27(23)32-29(24)28;1-19(2)17-21-10-12-22(13-11-21)23-14-16-26(30(4)18-23)28-20(3)9-15-25-24-7-5-6-8-27(24)31-29(25)28;1-19(2)17-21-10-12-22(13-11-21)23-15-16-30(4)26(18-23)28-20(3)9-14-25-24-7-5-6-8-27(24)31-29(25)28;1-18(2)20-8-7-9-21(16-20)22-13-15-25(29(4)17-22)27-19(3)12-14-24-23-10-5-6-11-26(23)30-28(24)27;1-18(2)20-10-12-21(13-11-20)22-14-16-25(29(4)17-22)27-19(3)9-15-24-23-7-5-6-8-26(23)30-28(24)27;1-18(2)20-10-12-21(13-11-20)22-15-16-29(4)25(17-22)27-19(3)9-14-24-23-7-5-6-8-26(23)30-28(24)27;1-17-7-6-8-19(15-17)20-12-14-23(27(3)16-20)25-18(2)11-13-22-21-9-4-5-10-24(21)28-26(22)25;1-17-8-11-19(12-9-17)20-13-15-23(27(3)16-20)25-18(2)10-14-22-21-6-4-5-7-24(21)28-26(22)25;1-17-8-11-19(12-9-17)20-14-15-27(3)23(16-20)25-18(2)10-13-22-21-6-4-5-7-24(21)28-26(22)25/h5-14,16-18H,15H2,1-4H3;2*5-16,18-19H,17H2,1-4H3;3*5-18H,1-4H3;3*4-16H,1-3H3/q9*+1/i1D3,18D;2*1D3,19D;3*1D3,18D;;1D3;.
What are the key properties of 4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium?
4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium has a molecular weight of 3535.77 g/mol, XLogP of 62.51, 34 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridin-1-ium;1-methyl-2-(3-methyldibenzofuran-4-yl)-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium is sourced from PubChem (CID 159162171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).