3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine

C168H177FGe4Ir4N8O2S3-8 — CID 157246570

IUPAC3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine
SMILES[2H]C([2H])([2H])c1ccc2c(c1)oc1c(-c3cc(C([2H])([2H])C4CCCC4)c(C([2H])(C)C)cn3)[c-]cc(F)c12.[2H]C([2H])([2H])c1ccc2c(c1)oc1c(-c3cc4c(cn3)C([2H])([2H])CCC4([2H])[2H])[c-]cc(C([2H])([2H])[2H])c12.[2H]C([2H])([2H])c1ccc2c(c1)sc1c(-c3ccccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccnc(-c2[c-]cc(C([2H])([2H])[2H])c3c2sc2cc(C([2H])([2H])[2H])ccc23)c1.[2H]C([2H])(c1cc(-c2[c-]cc3sc4ccccc4c3c2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C27H27FNO.C25H28GeNS.C23H20NO.C20H16NS.C19H26GeN.2C18H24GeN.C18H12NS.4Ir/c1-16(2)22-15-29-24(14-19(22)13-18-6-4-5-7-18)20-10-11-23(28)26-21-9-8-17(3)12-25(21)30-27(20)26;1-25(2,3)15-18-14-22(27-16-21(18)26(4,5)6)17-11-12-24-20(13-17)19-9-7-8-10-23(19)28-24;1-14-7-9-19-21(11-14)25-23-18(10-8-15(2)22(19)23)20-12-16-5-3-4-6-17(16)13-24-20;1-12-4-6-16-18(11-12)22-20-15(7-5-14(3)19(16)20)17-10-13(2)8-9-21-17;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;2*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;1-12-8-9-13-14-5-4-6-15(16-7-2-3-10-19-16)18(14)20-17(13)11-12;;;;/h8-9,11-12,14-16,18H,4-7,13H2,1-3H3;7-10,12-14,16H,15H2,1-6H3;7-9,11-13H,3-6H2,1-2H3;4-6,8-11H,1-3H3;7-10,12,14H,13H2,1-6H3;2*6-9,12-14H,11H2,1-5H3;2-5,7-11H,1H3;;;;/q8*-1;;;;/i3D3,13D2,16D;15D2;1D3,2D3,5D2,6D2;1D3,2D3,3D3;13D2;2*11D2;1D3;;;;
InChIKeyBCTWLWPJGMSEBK-FKLHXHILSA-N
MW3551.04 g/mol
LogP45.07
Rot. Bonds28

About 3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine

3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine (PubChem CID 157246570) has the molecular formula C168H177FGe4Ir4N8O2S3-8 and a molecular weight of 3551.04 g/mol. Its IUPAC name is 3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine.

Molecular Properties

Compound Name3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine
PubChem CID157246570
Molecular FormulaC168H177FGe4Ir4N8O2S3-8
Molecular Weight3551.04 g/mol
Exact Mass3557.08
IUPAC Name3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine
SMILES[2H]C([2H])([2H])c1ccc2c(c1)oc1c(-c3cc(C([2H])([2H])C4CCCC4)c(C([2H])(C)C)cn3)[c-]cc(F)c12.[2H]C([2H])([2H])c1ccc2c(c1)oc1c(-c3cc4c(cn3)C([2H])([2H])CCC4([2H])[2H])[c-]cc(C([2H])([2H])[2H])c12.[2H]C([2H])([2H])c1ccc2c(c1)sc1c(-c3ccccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccnc(-c2[c-]cc(C([2H])([2H])[2H])c3c2sc2cc(C([2H])([2H])[2H])ccc23)c1.[2H]C([2H])(c1cc(-c2[c-]cc3sc4ccccc4c3c2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C27H27FNO.C25H28GeNS.C23H20NO.C20H16NS.C19H26GeN.2C18H24GeN.C18H12NS.4Ir/c1-16(2)22-15-29-24(14-19(22)13-18-6-4-5-7-18)20-10-11-23(28)26-21-9-8-17(3)12-25(21)30-27(20)26;1-25(2,3)15-18-14-22(27-16-21(18)26(4,5)6)17-11-12-24-20(13-17)19-9-7-8-10-23(19)28-24;1-14-7-9-19-21(11-14)25-23-18(10-8-15(2)22(19)23)20-12-16-5-3-4-6-17(16)13-24-20;1-12-4-6-16-18(11-12)22-20-15(7-5-14(3)19(16)20)17-10-13(2)8-9-21-17;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;2*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;1-12-8-9-13-14-5-4-6-15(16-7-2-3-10-19-16)18(14)20-17(13)11-12;;;;/h8-9,11-12,14-16,18H,4-7,13H2,1-3H3;7-10,12-14,16H,15H2,1-6H3;7-9,11-13H,3-6H2,1-2H3;4-6,8-11H,1-3H3;7-10,12,14H,13H2,1-6H3;2*6-9,12-14H,11H2,1-5H3;2-5,7-11H,1H3;;;;/q8*-1;;;;/i3D3,13D2,16D;15D2;1D3,2D3,5D2,6D2;1D3,2D3,3D3;13D2;2*11D2;1D3;;;;
InChIKeyBCTWLWPJGMSEBK-FKLHXHILSA-N
XLogP45.07
TPSA129.40 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds28
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003551.04
LogP ≤ 545.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine with MolForge

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Related Compounds

5-(3'-Pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzothiolo[2,3-c]pyridine
CID 118698680
[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium
CID 155611531
[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;iridium;8-(5,5,8,8-tetradeuterio-6,7-dihydroisoquinolin-3-yl)-2,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 155612010
3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;iridium
CID 155612382
2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine)
CID 157066201
2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;tris(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 157097202
2-(3-Dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)pyridine;tris(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);hexakis(iridium);tris(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine;bis(2-phenylpyridine);3-pyridin-2-ylbenzene-4-ide-1-carbonitrile
CID 157140720
2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1-(2-ethylbutyl)-4-phenylbenzene;hexakis(iridium);bis(2-methyl-6-phenylpyridine);tetrakis(2-phenylpyridine);pyridine
CID 157148605
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-5-(trideuteriomethyl)pyridine;4-(9,9-dimethylfluoren-3-yl)-2-phenyl-5-(trideuteriomethyl)pyridine;pentakis(2,5-dimethyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);pentakis(iridium(3+));2-methyl-7-[2-phenyl-5-(trideuteriomethyl)-4-pyridinyl]-[1]benzothiolo[2,3-b]pyridine;pentakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);4-naphthalen-1-yl-2-phenyl-5-(trideuteriomethyl)pyridine;4-naphthalen-2-yl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 157261291
2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;pentakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 157285159
2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine)
CID 157304191
4-Cyclohexyl-2-[[6-(3-cyclohexylbenzene-6-id-1-yl)-2-pyridinyl]oxy]-6-phenylpyridine;4-cyclohexyl-2-phenyl-6-[[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]oxy]pyridine;4-(4-cyclohexylphenyl)-2-phenyl-6-[[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]oxy]pyridine;4-dibenzofuran-3-yl-2-phenyl-6-[[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]oxy]pyridine;4-dibenzothiophen-3-yl-2-phenyl-6-[[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]oxy]pyridine;4-(4-methylphenyl)-2-phenyl-6-[[6-[3-(4-phenylphenyl)benzene-6-id-1-yl]-2-pyridinyl]oxy]pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(4-phenylphenyl)-6-[[6-[3-(4-phenylphenyl)benzene-6-id-1-yl]-2-pyridinyl]oxy]pyridine;4-phenyl-2-phenylpyridine;octakis(platinum(2+))
CID 157305791

Frequently Asked Questions

What is the IUPAC name of 3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine?
The IUPAC name of 3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine (CID 157246570) is 3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine.
What is the SMILES notation for 3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine?
The canonical SMILES for 3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine is [2H]C([2H])([2H])c1ccc2c(c1)oc1c(-c3cc(C([2H])([2H])C4CCCC4)c(C([2H])(C)C)cn3)[c-]cc(F)c12.[2H]C([2H])([2H])c1ccc2c(c1)oc1c(-c3cc4c(cn3)C([2H])([2H])CCC4([2H])[2H])[c-]cc(C([2H])([2H])[2H])c12.[2H]C([2H])([2H])c1ccc2c(c1)sc1c(-c3ccccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccnc(-c2[c-]cc(C([2H])([2H])[2H])c3c2sc2cc(C([2H])([2H])[2H])ccc23)c1.[2H]C([2H])(c1cc(-c2[c-]cc3sc4ccccc4c3c2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)C.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine?
The InChIKey is BCTWLWPJGMSEBK-FKLHXHILSA-N. The full InChI is InChI=1S/C27H27FNO.C25H28GeNS.C23H20NO.C20H16NS.C19H26GeN.2C18H24GeN.C18H12NS.4Ir/c1-16(2)22-15-29-24(14-19(22)13-18-6-4-5-7-18)20-10-11-23(28)26-21-9-8-17(3)12-25(21)30-27(20)26;1-25(2,3)15-18-14-22(27-16-21(18)26(4,5)6)17-11-12-24-20(13-17)19-9-7-8-10-23(19)28-24;1-14-7-9-19-21(11-14)25-23-18(10-8-15(2)22(19)23)20-12-16-5-3-4-6-17(16)13-24-20;1-12-4-6-16-18(11-12)22-20-15(7-5-14(3)19(16)20)17-10-13(2)8-9-21-17;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;2*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;1-12-8-9-13-14-5-4-6-15(16-7-2-3-10-19-16)18(14)20-17(13)11-12;;;;/h8-9,11-12,14-16,18H,4-7,13H2,1-3H3;7-10,12-14,16H,15H2,1-6H3;7-9,11-13H,3-6H2,1-2H3;4-6,8-11H,1-3H3;7-10,12,14H,13H2,1-6H3;2*6-9,12-14H,11H2,1-5H3;2-5,7-11H,1H3;;;;/q8*-1;;;;/i3D3,13D2,16D;15D2;1D3,2D3,5D2,6D2;1D3,2D3,3D3;13D2;2*11D2;1D3;;;;.
What are the key properties of 3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine?
3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine has a molecular weight of 3551.04 g/mol, XLogP of 45.07, 28 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,7-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-5,5,8,8-tetradeuterio-6,7-dihydroisoquinoline;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-[cyclopentyl(dideuterio)methyl]-5-(2-deuteriopropan-2-yl)-2-[1-fluoro-7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine is sourced from PubChem (CID 157246570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).