pentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane

C160H140Ir5N10O5Si5-10 — CID 157079353

IUPACpentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane
SMILESC[Si](C)(C)c1c[c-]c(-c2ccccn2)c2oc3ccccc3c12.C[Si](C)(C)c1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.C[Si](C)(C)c1ccc2oc3c(-c4ccccn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.C[Si](C)(C)c1cccc2oc3c(-c4ccccn4)[c-]ccc3c12.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/5C20H18NOSi.5C12H10N.5Ir/c1-23(2,3)18-12-7-9-15-14-8-6-10-16(19(14)22-20(15)18)17-11-4-5-13-21-17;1-23(2,3)18-12-7-11-17-19(18)15-9-6-8-14(20(15)22-17)16-10-4-5-13-21-16;1-23(2,3)14-10-11-15-16-7-6-8-17(18-9-4-5-12-21-18)20(16)22-19(15)13-14;1-23(2,3)14-10-11-19-17(13-14)15-7-6-8-16(20(15)22-19)18-9-4-5-12-21-18;1-23(2,3)18-12-11-14(16-9-6-7-13-21-16)20-19(18)15-8-4-5-10-17(15)22-20;5*1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;;;;;/h4-9,11-13H,1-3H3;3*4-7,9-13H,1-3H3;4-10,12-13H,1-3H3;5*2-5,7-9H,1H3;;;;;/q10*-1;;;;;/i;;;;;1D3;;;;;;;;;
InChIKeyRJOXAMLAJAGSNL-BMQPGXMPSA-N
MW3387.48 g/mol
LogP39.24
Rot. Bonds16

About pentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane

pentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane (PubChem CID 157079353) has the molecular formula C160H140Ir5N10O5Si5-10 and a molecular weight of 3387.48 g/mol. Its IUPAC name is pentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane.

Molecular Properties

Compound Namepentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane
PubChem CID157079353
Molecular FormulaC160H140Ir5N10O5Si5-10
Molecular Weight3387.48 g/mol
Exact Mass3388.82
IUPAC Namepentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane
SMILESC[Si](C)(C)c1c[c-]c(-c2ccccn2)c2oc3ccccc3c12.C[Si](C)(C)c1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.C[Si](C)(C)c1ccc2oc3c(-c4ccccn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.C[Si](C)(C)c1cccc2oc3c(-c4ccccn4)[c-]ccc3c12.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/5C20H18NOSi.5C12H10N.5Ir/c1-23(2,3)18-12-7-9-15-14-8-6-10-16(19(14)22-20(15)18)17-11-4-5-13-21-17;1-23(2,3)18-12-7-11-17-19(18)15-9-6-8-14(20(15)22-17)16-10-4-5-13-21-16;1-23(2,3)14-10-11-15-16-7-6-8-17(18-9-4-5-12-21-18)20(16)22-19(15)13-14;1-23(2,3)14-10-11-19-17(13-14)15-7-6-8-16(20(15)22-19)18-9-4-5-12-21-18;1-23(2,3)18-12-11-14(16-9-6-7-13-21-16)20-19(18)15-8-4-5-10-17(15)22-20;5*1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;;;;;/h4-9,11-13H,1-3H3;3*4-7,9-13H,1-3H3;4-10,12-13H,1-3H3;5*2-5,7-9H,1H3;;;;;/q10*-1;;;;;/i;;;;;1D3;;;;;;;;;
InChIKeyRJOXAMLAJAGSNL-BMQPGXMPSA-N
XLogP39.24
TPSA194.60 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003387.48
LogP ≤ 539.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze pentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane with MolForge

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Related Compounds

2-[3-Dibenzofuran-4-yl-4-[2-[3-[2-[2-dibenzofuran-4-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-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]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153319870
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;iridium(3+)
CID 153319985
2-[3-Dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-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]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153320037
iridium;iridium(3+);methanol;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(6-methyldibenzofuran-4-yl)pyridine;tris(2-phenylpyridine);trifluoromethanesulfonate
CID 157068741
2-(3H-dibenzofuran-3-id-4-yl)-4-(3,4-difluorophenyl)pyridine;2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine;bis(iridium);methanol;bis(2-phenylpyridine);trifluoromethanesulfonate
CID 157092046
3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane
CID 157133461
2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;bis(iridium(3+));methanol;tetrakis(2-phenyl-5-propan-2-ylpyridine);trifluoromethanesulfonate
CID 157195204
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
iridium;iridium(3+);methanol;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(6-propan-2-yldibenzofuran-4-yl)pyridine;trifluoromethanesulfonate
CID 157257079
2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;bis(iridium(3+));methanol;tetrakis(2-methyl-6-phenylpyridine);trifluoromethanesulfonate
CID 157329600
3H-dibenzofuran-3-ide;2-dibenzofuran-4-yl-4-(1,1,1-trideuteriopropan-2-yl)pyridine;iridium;iridium(3+);methanol;tetrakis(2-phenylpyridine);4-(1,1,1-trideuteriopropan-2-yl)pyridine;trifluoromethanesulfonic acid
CID 157345933
2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;bis(iridium(3+));methanol;tetrakis(5-methyl-2-phenylpyridine);trifluoromethanesulfonate
CID 157423508

Frequently Asked Questions

What is the IUPAC name of pentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane?
The IUPAC name of pentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane (CID 157079353) is pentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane.
What is the SMILES notation for pentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane?
The canonical SMILES for pentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane is C[Si](C)(C)c1c[c-]c(-c2ccccn2)c2oc3ccccc3c12.C[Si](C)(C)c1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.C[Si](C)(C)c1ccc2oc3c(-c4ccccn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.C[Si](C)(C)c1cccc2oc3c(-c4ccccn4)[c-]ccc3c12.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of pentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane?
The InChIKey is RJOXAMLAJAGSNL-BMQPGXMPSA-N. The full InChI is InChI=1S/5C20H18NOSi.5C12H10N.5Ir/c1-23(2,3)18-12-7-9-15-14-8-6-10-16(19(14)22-20(15)18)17-11-4-5-13-21-17;1-23(2,3)18-12-7-11-17-19(18)15-9-6-8-14(20(15)22-17)16-10-4-5-13-21-16;1-23(2,3)14-10-11-15-16-7-6-8-17(18-9-4-5-12-21-18)20(16)22-19(15)13-14;1-23(2,3)14-10-11-19-17(13-14)15-7-6-8-16(20(15)22-19)18-9-4-5-12-21-18;1-23(2,3)18-12-11-14(16-9-6-7-13-21-16)20-19(18)15-8-4-5-10-17(15)22-20;5*1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;;;;;/h4-9,11-13H,1-3H3;3*4-7,9-13H,1-3H3;4-10,12-13H,1-3H3;5*2-5,7-9H,1H3;;;;;/q10*-1;;;;;/i;;;;;1D3;;;;;;;;;.
What are the key properties of pentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane?
pentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane has a molecular weight of 3387.48 g/mol, XLogP of 39.24, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane is sourced from PubChem (CID 157079353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).