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

C32H28IrN2SSi-2 — CID 155608412

IUPACiridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane
SMILESCc1ccc(-c2[c-]ccc3c2sc2cc([Si](C)(C)C)ccc23)nc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C21H20NSSi.C11H8N.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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-6,8-13H,1-4H3;1-6,8-9H;/q2*-1;
InChIKeyGOTFMQLTNJTIDF-UHFFFAOYSA-N
MW692.96 g/mol
LogP8.32
Rot. Bonds3

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

iridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane (PubChem CID 155608412) has the molecular formula C32H28IrN2SSi-2 and a molecular weight of 692.96 g/mol. Its IUPAC name is iridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane
PubChem CID155608412
Molecular FormulaC32H28IrN2SSi-2
Molecular Weight692.96 g/mol
Exact Mass693.14
IUPAC Nameiridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane
SMILESCc1ccc(-c2[c-]ccc3c2sc2cc([Si](C)(C)C)ccc23)nc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C21H20NSSi.C11H8N.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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-6,8-13H,1-4H3;1-6,8-9H;/q2*-1;
InChIKeyGOTFMQLTNJTIDF-UHFFFAOYSA-N
XLogP8.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.96
LogP ≤ 58.32
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'}

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Related Compounds

iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane
CID 155608718
iridium;2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzothiophen-7-id-2-yl]silane
CID 155608999
iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane
CID 164832449
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane
CID 155608767
iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane
CID 155608336
[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine)
CID 161340030
iridium;5-methyl-2-[7-(4-methylphenyl)-3H-dibenzothiophen-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578309
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
CID 155608840
iridium;2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 171435956
2-[7-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pentan-3-ylpyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578600
[4-[6-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-dibenzothiophen-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166576827
iridium;2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166576410

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane?
The IUPAC name of iridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane (CID 155608412) is iridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane.
What is the SMILES notation for iridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane?
The canonical SMILES for iridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane is Cc1ccc(-c2[c-]ccc3c2sc2cc([Si](C)(C)C)ccc23)nc1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane?
The InChIKey is GOTFMQLTNJTIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20NSSi.C11H8N.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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-6,8-13H,1-4H3;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane?
iridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane has a molecular weight of 692.96 g/mol, XLogP of 8.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane is sourced from PubChem (CID 155608412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).