iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane

C33H30IrN2OSi-2 — CID 155608578

IUPACiridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane
SMILESCc1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2cccc([Si](C)(C)C)c23)nc1.[Ir]
InChIInChI=1S/C21H20NOSi.C12H10N.Ir/c1-14-11-12-17(22-13-14)15-7-5-8-16-20-18(23-21(15)16)9-6-10-19(20)24(2,3)4;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h5-6,8-13H,1-4H3;2-5,7-9H,1H3;/q2*-1;/i1D3;;
InChIKeyFNBKZTAOPDBJNR-GXXYEPOPSA-N
MW693.94 g/mol
LogP8.16
Rot. Bonds4

About iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane

iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane (PubChem CID 155608578) has the molecular formula C33H30IrN2OSi-2 and a molecular weight of 693.94 g/mol. Its IUPAC name is iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane.

Molecular Properties

Compound Nameiridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane
PubChem CID155608578
Molecular FormulaC33H30IrN2OSi-2
Molecular Weight693.94 g/mol
Exact Mass694.20
IUPAC Nameiridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane
SMILESCc1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2cccc([Si](C)(C)C)c23)nc1.[Ir]
InChIInChI=1S/C21H20NOSi.C12H10N.Ir/c1-14-11-12-17(22-13-14)15-7-5-8-16-20-18(23-21(15)16)9-6-10-19(20)24(2,3)4;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h5-6,8-13H,1-4H3;2-5,7-9H,1H3;/q2*-1;/i1D3;;
InChIKeyFNBKZTAOPDBJNR-GXXYEPOPSA-N
XLogP8.16
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.94
LogP ≤ 58.16
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-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-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

iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]silane
CID 155608708
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
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
CID 155608840
iridium;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine
CID 154587965
[2-([1]benzofuro[3,2-c]pyridin-3-yl)benzene-3-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 155619239
iridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane
CID 155608842
[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine
CID 155608950
iridium;2-(2-methyl-8H-[1]benzothiolo[5,4-b][1]benzofuran-8-id-7-yl)-4,5-bis(trideuteriomethyl)pyridine;5-methyl-2-phenylpyridine
CID 168829214
tetrakis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-5-(trideuteriomethyl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 160684487
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
[6-(3H-[1]benzofuro[3,2-c]pyridin-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 162498288

Frequently Asked Questions

What is the IUPAC name of iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane?
The IUPAC name of iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane (CID 155608578) is iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane.
What is the SMILES notation for iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane?
The canonical SMILES for iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane is Cc1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2cccc([Si](C)(C)C)c23)nc1.[Ir].
What is the InChIKey of iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane?
The InChIKey is FNBKZTAOPDBJNR-GXXYEPOPSA-N. The full InChI is InChI=1S/C21H20NOSi.C12H10N.Ir/c1-14-11-12-17(22-13-14)15-7-5-8-16-20-18(23-21(15)16)9-6-10-19(20)24(2,3)4;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h5-6,8-13H,1-4H3;2-5,7-9H,1H3;/q2*-1;/i1D3;;.
What are the key properties of iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane?
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane has a molecular weight of 693.94 g/mol, XLogP of 8.16, 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-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane is sourced from PubChem (CID 155608578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).