2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine

C154H164Ge4Ir4N8S4-8 — CID 163861427

IUPAC2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([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)sc1c(-c3cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])ccn3)[c-]cc(C([2H])([2H])[2H])c12.[2H]C([2H])([2H])c1ccc2c(c1)sc1c(-c3cc(C([2H])(C)C)ccn3)[c-]ccc12.[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-]cccc2)ncc1[Ge](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.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H22NS.C21H18NS.C20H16NS.4C18H24GeN.C18H12NS.4Ir/c1-14-6-8-18-20(12-14)25-22-17(9-7-15(2)21(18)22)19-13-16(10-11-24-19)23(3,4)5;1-13(2)15-9-10-22-19(12-15)18-6-4-5-17-16-8-7-14(3)11-20(16)23-21(17)18;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;4*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;;;;/h6-8,10-13H,1-5H3;4-5,7-13H,1-3H3;4-6,8-11H,1-3H3;4*6-9,12-14H,11H2,1-5H3;2-5,7-11H,1H3;;;;/q8*-1;;;;/i1D3,2D3,3D3,4D3,5D3;3D3,13D;1D3,2D3,3D3;4*11D2;1D3;;;;
InChIKeyDUEWJOSNCAMOOJ-OBFHLYOESA-N
MW3353.88 g/mol
LogP41.41
Rot. Bonds28

About 2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine

2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([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 163861427) has the molecular formula C154H164Ge4Ir4N8S4-8 and a molecular weight of 3353.88 g/mol. Its IUPAC name is 2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([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 Name2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine
PubChem CID163861427
Molecular FormulaC154H164Ge4Ir4N8S4-8
Molecular Weight3353.88 g/mol
Exact Mass3359.98
IUPAC Name2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([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)sc1c(-c3cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])ccn3)[c-]cc(C([2H])([2H])[2H])c12.[2H]C([2H])([2H])c1ccc2c(c1)sc1c(-c3cc(C([2H])(C)C)ccn3)[c-]ccc12.[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-]cccc2)ncc1[Ge](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.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H22NS.C21H18NS.C20H16NS.4C18H24GeN.C18H12NS.4Ir/c1-14-6-8-18-20(12-14)25-22-17(9-7-15(2)21(18)22)19-13-16(10-11-24-19)23(3,4)5;1-13(2)15-9-10-22-19(12-15)18-6-4-5-17-16-8-7-14(3)11-20(16)23-21(17)18;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;4*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;;;;/h6-8,10-13H,1-5H3;4-5,7-13H,1-3H3;4-6,8-11H,1-3H3;4*6-9,12-14H,11H2,1-5H3;2-5,7-11H,1H3;;;;/q8*-1;;;;/i1D3,2D3,3D3,4D3,5D3;3D3,13D;1D3,2D3,3D3;4*11D2;1D3;;;;
InChIKeyDUEWJOSNCAMOOJ-OBFHLYOESA-N
XLogP41.41
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms174
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003353.88
LogP ≤ 541.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([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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Frequently Asked Questions

What is the IUPAC name of 2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([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 2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine (CID 163861427) is 2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([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 2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([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 2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([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)sc1c(-c3cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])ccn3)[c-]cc(C([2H])([2H])[2H])c12.[2H]C([2H])([2H])c1ccc2c(c1)sc1c(-c3cc(C([2H])(C)C)ccn3)[c-]ccc12.[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-]cccc2)ncc1[Ge](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.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)C.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([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 DUEWJOSNCAMOOJ-OBFHLYOESA-N. The full InChI is InChI=1S/C23H22NS.C21H18NS.C20H16NS.4C18H24GeN.C18H12NS.4Ir/c1-14-6-8-18-20(12-14)25-22-17(9-7-15(2)21(18)22)19-13-16(10-11-24-19)23(3,4)5;1-13(2)15-9-10-22-19(12-15)18-6-4-5-17-16-8-7-14(3)11-20(16)23-21(17)18;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;4*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;;;;/h6-8,10-13H,1-5H3;4-5,7-13H,1-3H3;4-6,8-11H,1-3H3;4*6-9,12-14H,11H2,1-5H3;2-5,7-11H,1H3;;;;/q8*-1;;;;/i1D3,2D3,3D3,4D3,5D3;3D3,13D;1D3,2D3,3D3;4*11D2;1D3;;;;.
What are the key properties of 2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tetrakis(iridium);2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine?
2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([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 3353.88 g/mol, XLogP of 41.41, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridine;2-[1,7-bis(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-4-(trideuteriomethyl)pyridine;4-(2-deuteriopropan-2-yl)-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tetrakis([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 163861427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).