iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane

C38H40IrN2OSi-2 — CID 164796923

IUPACiridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
SMILESCc1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])C(Cc1cc(-c2[c-]cc([Si](C)(C)C)c3c2oc2ccccc23)ncc1C)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Ir]
InChIInChI=1S/C26H30NOSi.C12H10N.Ir/c1-17-16-27-21(14-18(17)15-26(2,3)4)19-12-13-23(29(5,6)7)24-20-10-8-9-11-22(20)28-25(19)24;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h8-11,13-14,16H,15H2,1-7H3;2-5,7-9H,1H3;/q2*-1;/i2D3,3D3,4D3;;
InChIKeyDLHIEZSHIYIHTJ-CTXWEHPHSA-N
MW770.11 g/mol
LogP9.75
Rot. Bonds4

About iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane

iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane (PubChem CID 164796923) has the molecular formula C38H40IrN2OSi-2 and a molecular weight of 770.11 g/mol. Its IUPAC name is iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane.

Molecular Properties

Compound Nameiridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
PubChem CID164796923
Molecular FormulaC38H40IrN2OSi-2
Molecular Weight770.11 g/mol
Exact Mass770.31
IUPAC Nameiridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
SMILESCc1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])C(Cc1cc(-c2[c-]cc([Si](C)(C)C)c3c2oc2ccccc23)ncc1C)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Ir]
InChIInChI=1S/C26H30NOSi.C12H10N.Ir/c1-17-16-27-21(14-18(17)15-26(2,3)4)19-12-13-23(29(5,6)7)24-20-10-8-9-11-22(20)28-25(19)24;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h8-11,13-14,16H,15H2,1-7H3;2-5,7-9H,1H3;/q2*-1;/i2D3,3D3,4D3;;
InChIKeyDLHIEZSHIYIHTJ-CTXWEHPHSA-N
XLogP9.75
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.11
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;4-methyl-2-phenylpyridine
CID 164796899
[4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine
CID 155608383
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane
CID 164797050
[4-(4-tert-butyl-3-methyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine
CID 164797037
CID 169291867
CID 169291867
iridium;4-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-(2-methylpentan-3-yl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164796771
2-(1-benzyl-3H-dibenzofuran-3-id-4-yl)-4-methyl-5-phenylpyridine;iridium;5-methyl-2-phenylpyridine
CID 162707837
iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[3-methyl-4-(2-methylpentan-3-yl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164796844
iridium;4-methyl-2-phenylpyridine;trimethyl-[4-[4-methyl-5-(2-methylpentan-3-yl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164796884
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[3,2-b]pyridin-7-id-9-yl]silane
CID 164796943
4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium
CID 164796971
2-(8H-[1]benzothiolo[6,7-b][1]benzofuran-8-id-7-yl)-4-(2,2-dimethylpropyl)-5-methylpyridine;iridium;5-methyl-2-phenylpyridine
CID 168829696

Frequently Asked Questions

What is the IUPAC name of iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane?
The IUPAC name of iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane (CID 164796923) is iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane.
What is the SMILES notation for iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane?
The canonical SMILES for iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane is Cc1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])C(Cc1cc(-c2[c-]cc([Si](C)(C)C)c3c2oc2ccccc23)ncc1C)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Ir].
What is the InChIKey of iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane?
The InChIKey is DLHIEZSHIYIHTJ-CTXWEHPHSA-N. The full InChI is InChI=1S/C26H30NOSi.C12H10N.Ir/c1-17-16-27-21(14-18(17)15-26(2,3)4)19-12-13-23(29(5,6)7)24-20-10-8-9-11-22(20)28-25(19)24;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h8-11,13-14,16H,15H2,1-7H3;2-5,7-9H,1H3;/q2*-1;/i2D3,3D3,4D3;;.
What are the key properties of iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane?
iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane has a molecular weight of 770.11 g/mol, XLogP of 9.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane is sourced from PubChem (CID 164796923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).