iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane

C33H30IrN2OSi-2 — CID 155608840

IUPACiridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
SMILESCc1ccc(-c2[c-]ccc3c2oc2cc([Si](C)(C)C)ccc23)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C21H20NOSi.C12H10N.Ir/c1-14-8-11-19(22-13-14)18-7-5-6-17-16-10-9-15(24(2,3)4)12-20(16)23-21(17)18;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;
InChIKeyZNPXTCKCNBDKAK-UHFFFAOYSA-N
MW690.92 g/mol
LogP8.16
Rot. Bonds3

About iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane

iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane (PubChem CID 155608840) has the molecular formula C33H30IrN2OSi-2 and a molecular weight of 690.92 g/mol. Its IUPAC name is iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane.

Molecular Properties

Compound Nameiridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
PubChem CID155608840
Molecular FormulaC33H30IrN2OSi-2
Molecular Weight690.92 g/mol
Exact Mass691.18
IUPAC Nameiridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
SMILESCc1ccc(-c2[c-]ccc3c2oc2cc([Si](C)(C)C)ccc23)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C21H20NOSi.C12H10N.Ir/c1-14-8-11-19(22-13-14)18-7-5-6-17-16-10-9-15(24(2,3)4)12-20(16)23-21(17)18;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;
InChIKeyZNPXTCKCNBDKAK-UHFFFAOYSA-N
XLogP8.16
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.92
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-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-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

2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine
CID 155608882
4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 162710274
iridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane
CID 155608842
2-(7-benzyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162708739
2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;4-methyl-2-phenyl-5-propan-2-ylpyridine
CID 164797600
bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 163719689
iridium;2-[7-(1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162707539
iridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane
CID 155608412
2-[7-(3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-pentan-3-ylpyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575248
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane
CID 155608578
4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane
CID 155608387

Frequently Asked Questions

What is the IUPAC name of iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane?
The IUPAC name of iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane (CID 155608840) is iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane.
What is the SMILES notation for iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane?
The canonical SMILES for iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane is Cc1ccc(-c2[c-]ccc3c2oc2cc([Si](C)(C)C)ccc23)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].
What is the InChIKey of iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane?
The InChIKey is ZNPXTCKCNBDKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20NOSi.C12H10N.Ir/c1-14-8-11-19(22-13-14)18-7-5-6-17-16-10-9-15(24(2,3)4)12-20(16)23-21(17)18;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;.
What are the key properties of iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane?
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane has a molecular weight of 690.92 g/mol, XLogP of 8.16, 3 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-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane is sourced from PubChem (CID 155608840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).