bis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine

C151H126Ir4N8Si4-8 — CID 159526374

IUPACbis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.C[Si]1(C)c2ccccc2-c2ccnc(-c3[c-]cccc3)c21.C[Si]1(C)c2ccccc2-c2ccnc(-c3[c-]cccc3)c21.C[Si]1(C)c2ccccc2-c2cnc(-c3[c-]cccc3)cc21.C[Si]1(C)c2ccccc2-c2cnc(-c3[c-]cccc3)cc21.Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1cnc(-c2[c-]cccc2)cc1-c1ccccc1.[2H]C([2H])([2H])c1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H20N.4C19H16NSi.3C18H14N.4Ir/c1-16(2)13-19-14-21(18-11-7-4-8-12-18)22-15-20(19)17-9-5-3-6-10-17;2*1-21(2)18-11-7-6-10-15(18)16-13-20-17(12-19(16)21)14-8-4-3-5-9-14;2*1-21(2)17-11-7-6-10-15(17)16-12-13-20-18(19(16)21)14-8-4-3-5-9-14;1-14-13-19-18(16-10-6-3-7-11-16)12-17(14)15-8-4-2-5-9-15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-14-10-11-19-18(12-14)17-9-5-8-16(13-17)15-6-3-2-4-7-15;;;;/h3-11,14-16H,13H2,1-2H3;4*3-8,10-13H,1-2H3;2*2-10,12-13H,1H3;2-8,10-13H,1H3;;;;/q8*-1;;;;/i;;;;;;1D3;;;;;
InChIKeyATGAKMOPCZGWSQ-GJWZRSTQSA-N
MW2936.96 g/mol
LogP32.38
Rot. Bonds15

About bis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine

bis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine (PubChem CID 159526374) has the molecular formula C151H126Ir4N8Si4-8 and a molecular weight of 2936.96 g/mol. Its IUPAC name is bis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Namebis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine
PubChem CID159526374
Molecular FormulaC151H126Ir4N8Si4-8
Molecular Weight2936.96 g/mol
Exact Mass2937.79
IUPAC Namebis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.C[Si]1(C)c2ccccc2-c2ccnc(-c3[c-]cccc3)c21.C[Si]1(C)c2ccccc2-c2ccnc(-c3[c-]cccc3)c21.C[Si]1(C)c2ccccc2-c2cnc(-c3[c-]cccc3)cc21.C[Si]1(C)c2ccccc2-c2cnc(-c3[c-]cccc3)cc21.Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1cnc(-c2[c-]cccc2)cc1-c1ccccc1.[2H]C([2H])([2H])c1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H20N.4C19H16NSi.3C18H14N.4Ir/c1-16(2)13-19-14-21(18-11-7-4-8-12-18)22-15-20(19)17-9-5-3-6-10-17;2*1-21(2)18-11-7-6-10-15(18)16-13-20-17(12-19(16)21)14-8-4-3-5-9-14;2*1-21(2)17-11-7-6-10-15(17)16-12-13-20-18(19(16)21)14-8-4-3-5-9-14;1-14-13-19-18(16-10-6-3-7-11-16)12-17(14)15-8-4-2-5-9-15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-14-10-11-19-18(12-14)17-9-5-8-16(13-17)15-6-3-2-4-7-15;;;;/h3-11,14-16H,13H2,1-2H3;4*3-8,10-13H,1-2H3;2*2-10,12-13H,1H3;2-8,10-13H,1H3;;;;/q8*-1;;;;/i;;;;;;1D3;;;;;
InChIKeyATGAKMOPCZGWSQ-GJWZRSTQSA-N
XLogP32.38
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms167
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002936.96
LogP ≤ 532.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine?
The IUPAC name of bis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine (CID 159526374) is bis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine.
What is the SMILES notation for bis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine?
The canonical SMILES for bis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine is CC(C)Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.C[Si]1(C)c2ccccc2-c2ccnc(-c3[c-]cccc3)c21.C[Si]1(C)c2ccccc2-c2ccnc(-c3[c-]cccc3)c21.C[Si]1(C)c2ccccc2-c2cnc(-c3[c-]cccc3)cc21.C[Si]1(C)c2ccccc2-c2cnc(-c3[c-]cccc3)cc21.Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1cnc(-c2[c-]cccc2)cc1-c1ccccc1.[2H]C([2H])([2H])c1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of bis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine?
The InChIKey is ATGAKMOPCZGWSQ-GJWZRSTQSA-N. The full InChI is InChI=1S/C21H20N.4C19H16NSi.3C18H14N.4Ir/c1-16(2)13-19-14-21(18-11-7-4-8-12-18)22-15-20(19)17-9-5-3-6-10-17;2*1-21(2)18-11-7-6-10-15(18)16-13-20-17(12-19(16)21)14-8-4-3-5-9-14;2*1-21(2)17-11-7-6-10-15(17)16-12-13-20-18(19(16)21)14-8-4-3-5-9-14;1-14-13-19-18(16-10-6-3-7-11-16)12-17(14)15-8-4-2-5-9-15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-14-10-11-19-18(12-14)17-9-5-8-16(13-17)15-6-3-2-4-7-15;;;;/h3-11,14-16H,13H2,1-2H3;4*3-8,10-13H,1-2H3;2*2-10,12-13H,1H3;2-8,10-13H,1H3;;;;/q8*-1;;;;/i;;;;;;1D3;;;;;.
What are the key properties of bis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine?
bis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine has a molecular weight of 2936.96 g/mol, XLogP of 32.38, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine);bis(9,9-dimethyl-1-phenyl-[1]benzosilolo[2,3-c]pyridine);tetrakis(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-4-phenyl-2-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-phenylpyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine is sourced from PubChem (CID 159526374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).