[6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine

C110H105Ir3N7O3Si3-6 — CID 157083859

IUPAC[6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine
SMILESCC(C)Cc1cc(-c2[c-]cc3oc4ccccc4c3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3c(c2)oc2ccccc23)ncc1[Si](C)(C)C.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC(C)C)c([Si](C)(C)c4ccccc4)cn3)cc12.Cc1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir]
InChIInChI=1S/C29H29N2OSi.C24H26NOSi.C21H20NOSi.3C12H10N.3Ir/c1-19(2)15-22-17-26(30-18-28(22)33(4,5)23-9-7-6-8-10-23)21-12-14-27-25(16-21)24-13-11-20(3)31-29(24)32-27;1-16(2)12-18-14-21(25-15-24(18)27(3,4)5)17-10-11-23-20(13-17)19-8-6-7-9-22(19)26-23;1-14-11-18(22-13-21(14)24(2,3)4)15-9-10-17-16-7-5-6-8-19(16)23-20(17)12-15;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h6-11,13-14,16-19H,15H2,1-5H3;6-9,11,13-16H,12H2,1-5H3;5-8,10-13H,1-4H3;2-7,9H,1H3;2*2-5,7-9H,1H3;;;/q6*-1;;;/i;;;1D3;;;;;
InChIKeySQJMCFDPIANMRF-WOCRSOJBSA-N
MW2237.02 g/mol
LogP26.23
Rot. Bonds15

About [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine

[6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine (PubChem CID 157083859) has the molecular formula C110H105Ir3N7O3Si3-6 and a molecular weight of 2237.02 g/mol. Its IUPAC name is [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name[6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine
PubChem CID157083859
Molecular FormulaC110H105Ir3N7O3Si3-6
Molecular Weight2237.02 g/mol
Exact Mass2237.67
IUPAC Name[6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine
SMILESCC(C)Cc1cc(-c2[c-]cc3oc4ccccc4c3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3c(c2)oc2ccccc23)ncc1[Si](C)(C)C.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC(C)C)c([Si](C)(C)c4ccccc4)cn3)cc12.Cc1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir]
InChIInChI=1S/C29H29N2OSi.C24H26NOSi.C21H20NOSi.3C12H10N.3Ir/c1-19(2)15-22-17-26(30-18-28(22)33(4,5)23-9-7-6-8-10-23)21-12-14-27-25(16-21)24-13-11-20(3)31-29(24)32-27;1-16(2)12-18-14-21(25-15-24(18)27(3,4)5)17-10-11-23-20(13-17)19-8-6-7-9-22(19)26-23;1-14-11-18(22-13-21(14)24(2,3)4)15-9-10-17-16-7-5-6-8-19(16)23-20(17)12-15;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h6-11,13-14,16-19H,15H2,1-5H3;6-9,11,13-16H,12H2,1-5H3;5-8,10-13H,1-4H3;2-7,9H,1H3;2*2-5,7-9H,1H3;;;/q6*-1;;;/i;;;1D3;;;;;
InChIKeySQJMCFDPIANMRF-WOCRSOJBSA-N
XLogP26.23
TPSA129.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002237.02
LogP ≤ 526.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine with MolForge

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Related Compounds

bis(iridium);methanol;4-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine;4-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-5-(trideuteriomethyl)pyridine);trifluoromethanesulfonic acid
CID 157070614
5-(deuteriomethyl)-2-phenylpyridine;bis(iridium);methanol;5-methyl-2-phenylpyridine;8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-(trideuteriomethyl)pyridine;8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine;trifluoromethanesulfonic acid
CID 157156993
bis(iridium);methanol;5-methyl-2-phenylpyridine;8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine;trifluoromethanesulfonic acid
CID 157156994
2-[4-[2-[3,5-Bis[2-(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;4-tert-butyl-2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;tris(iridium(3+))
CID 157239422
bis(4-fluoro-2-phenylpyridine);bis(iridium);methanol;2-methyl-8-[4-(4-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;2-methyl-8-[4-(4-methylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trifluoromethanesulfonate
CID 157314302
ethanol;iridium;iridium(3+);methane;methanol;tetrakis(2-phenylpyridine);trifluoromethanesulfonic acid;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 157408832
8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium);methanol;bis(2-phenylpyridine);trifluoromethanesulfonate
CID 157436584
bis(iridium);methanol;tris(4-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine);8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine;8-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trifluoromethanesulfonic acid
CID 157614463
bis(iridium);methanol;5-methyl-2-phenylpyridine;8-[4-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;bis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trifluoromethanesulfonic acid
CID 157698519
bis(iridium);methanol;5-methyl-2-phenylpyridine;bis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trifluoromethanesulfonic acid
CID 157698521
[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;(6-dibenzofuran-2-yl-3-pyridinyl)-trimethylsilane;ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonic acid;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 157730818
Bis(iridium);methanol;bis(2-methyl-6-phenylpyridine);2-phenyl-[1]benzofuro[2,3-b]pyridine;2-phenyl-[1]benzofuro[2,3-b]pyridine;trifluoromethanesulfonate
CID 157744664

Frequently Asked Questions

What is the IUPAC name of [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine?
The IUPAC name of [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine (CID 157083859) is [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine.
What is the SMILES notation for [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine?
The canonical SMILES for [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine is CC(C)Cc1cc(-c2[c-]cc3oc4ccccc4c3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3c(c2)oc2ccccc23)ncc1[Si](C)(C)C.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC(C)C)c([Si](C)(C)c4ccccc4)cn3)cc12.Cc1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].
What is the InChIKey of [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine?
The InChIKey is SQJMCFDPIANMRF-WOCRSOJBSA-N. The full InChI is InChI=1S/C29H29N2OSi.C24H26NOSi.C21H20NOSi.3C12H10N.3Ir/c1-19(2)15-22-17-26(30-18-28(22)33(4,5)23-9-7-6-8-10-23)21-12-14-27-25(16-21)24-13-11-20(3)31-29(24)32-27;1-16(2)12-18-14-21(25-15-24(18)27(3,4)5)17-10-11-23-20(13-17)19-8-6-7-9-22(19)26-23;1-14-11-18(22-13-21(14)24(2,3)4)15-9-10-17-16-7-5-6-8-19(16)23-20(17)12-15;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h6-11,13-14,16-19H,15H2,1-5H3;6-9,11,13-16H,12H2,1-5H3;5-8,10-13H,1-4H3;2-7,9H,1H3;2*2-5,7-9H,1H3;;;/q6*-1;;;/i;;;1D3;;;;;.
What are the key properties of [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine?
[6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine has a molecular weight of 2237.02 g/mol, XLogP of 26.23, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine is sourced from PubChem (CID 157083859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).